1,3-Diisopropyl-2-isothiocyanato-5-phenoxybenzene
A high-purity hindered aromatic isothiocyanate supplied for pharmaceutical intermediate synthesis and specialty thiourea and thiocarbamate chemistry.
What is 1,3-Diisopropyl-2-isothiocyanato-5-phenoxybenzene?
1,3-Diisopropyl-2-isothiocyanato-5-phenoxybenzene — DIPPI — is a substituted aromatic isothiocyanate carrying two isopropyl groups flanking the isothiocyanate function, with a phenoxy group across the ring.
The isothiocyanate is the reactive centre. It adds amines directly to give thioureas, and alcohols to give thiocarbamates, in clean reactions that need no coupling agent. The two flanking isopropyl groups shield that centre, slowing the reaction enough to make it selective and giving the resulting thiourea a defined, hindered geometry.
At Chelora Chemicals, DIPPI is refined to high assay with moisture and free amine content controlled, since isothiocyanates hydrolyse on contact with water and any residual amine consumes product during storage.
- Appearance
- Pale yellow to amber liquid or low-melting solid
- Odour
- Pungent, characteristic of isothiocyanates
- Solubility
- Insoluble in water; soluble in most organic solvents
- Function
- Chemical intermediate
- Grade
- High purity
Formula diagram
A hindered aromatic isothiocyanate with a phenoxy substituent
- Molecular formulaC19H21NOS
- Molecular weight311.45 g/mol
- IUPAC name1,3-Diisopropyl-2-isothiocyanato-5-phenoxybenzene
- Functional groupsIsothiocyanate, aryl ether, alkyl
- CAS number80058-93-1
Technical product information
Standard specification for Chelora Chemicals' high-purity intermediate 1,3-Diisopropyl-2-isothiocyanato-5-phenoxybenzene. Custom-grade and bulk specifications are available on request.
| Chemical name | 1,3-Diisopropyl-2-isothiocyanato-5-phenoxybenzene |
|---|---|
| Synonyms | DIPPI, 2,6-Diisopropyl-4-phenoxyphenyl isothiocyanate |
| CAS number | 80058-93-1 |
| Molecular formula | C19H21NOS |
| Molecular weight | 311.45 g/mol |
| Assay (HPLC purity) | ≥ 98.0% |
| Appearance | Pale yellow to amber liquid or low-melting solid |
| Free amine | ≤ 0.5% |
| Moisture | ≤ 0.2% |
| Residual solvent | To customer specification |
| Packaging | 5 kg, 25 kg & 50 kg drums |
| Storage | Cool, dry, under inert atmosphere |
| Shelf life | 12 months in sealed original packaging |
Applications of 1,3-Diisopropyl-2-isothiocyanato-5-phenoxybenzene
Thiourea synthesis
Reacts directly with primary and secondary amines to give substituted thioureas without a coupling agent.
Pharmaceutical intermediates
Used in API and development compound routes requiring a hindered aryl thiourea fragment.
Thiocarbamate chemistry
Adds alcohols and phenols to give thiocarbamate derivatives.
Heterocyclic synthesis
Cyclised into thiazoles, thiadiazoles, and related sulfur-containing rings.
Agrochemical intermediates
Applied in crop-protection routes built on aryl isothiocyanate chemistry.
Custom synthesis
Supplied as a contract manufacturing and development building block.
Why choose Chelora Chemicals
Every batch of 1,3-Diisopropyl-2-isothiocyanato-5-phenoxybenzene is manufactured, tested, and documented to a standard that formulators and process chemists can build on with confidence — from first sample to full production volume.
Consistent purity
HPLC assay controlled at ≥98% with free amine and moisture verified before dispatch.
Full documentation
COA, SDS, and regulatory data supplied with every shipment.
Flexible volumes
From 5 kg to 50 kg drums, with laboratory samples for development work.
Technical support
Process, handling, and compliance guidance from our chemistry team.
Storage and guidelines
- 01Store in tightly sealed original containers under nitrogen — isothiocyanates hydrolyse on contact with moisture.
- 02Keep cool and dry; refrigerated storage extends assay stability materially.
- 03Segregate rigorously from water, amines, alcohols, and strong bases — all of these react with the isothiocyanate group.
- 04Protect from light and keep containers tightly closed at all times.
- 05Use compatible containers: glass, stainless steel, or lined steel.
- 06Re-seal and re-blanket containers immediately after each withdrawal.
Handling precautions
DIPPI causes severe skin and eye irritation and is a skin and respiratory sensitiser. It is for industrial use by trained personnel only.
Isothiocyanates are potent sensitisers and lachrymators. Once a worker is sensitised, very low subsequent exposures can trigger a reaction, so preventing first contact is the control strategy.
Handle in a fume hood or fully enclosed system with chemical-resistant gloves, coveralls, and face protection. The pungent odour is an irritant warning, not a safe exposure indicator.
Reaction with amines is exothermic and immediate. At scale it requires controlled addition, cooling, and appropriate relief provision.
Contact with water or moist air generates hydrolysis products and degrades the material. Keep the system dry throughout.
Refer to the full Safety Data Sheet for exposure limits, health surveillance, spill response, and first-aid measures before use.
Frequently asked questions
What is DIPPI used for?
It is an intermediate for thiourea and thiocarbamate synthesis, mainly in pharmaceutical and specialty chemical routes where a hindered aryl isothiocyanate fragment is required.
What does an isothiocyanate react with?
Nucleophiles add across the N=C=S group. Amines give thioureas, alcohols and phenols give thiocarbamates, and thiols give dithiocarbamates. The reactions are direct and need no coupling reagent.
Why do the isopropyl groups matter?
They flank the isothiocyanate and slow its reaction, which improves selectivity when several nucleophiles are present. They also lock the resulting thiourea into a defined, hindered geometry that matters for how the final molecule behaves.
Why is moisture so tightly controlled?
Isothiocyanates hydrolyse on contact with water, consuming product and generating by-products. Dry storage under nitrogen is a requirement rather than a recommendation, and dry solvent is needed in use.
Why is free amine specified?
Any residual amine reacts with the isothiocyanate during storage, forming thiourea in the drum and eroding assay over time. Controlling it at manufacture protects shelf life.
Is it a liquid or a solid?
It is supplied as a pale yellow to amber liquid or low-melting solid depending on temperature and batch. Warm gently and evenly if solidified.
What are the sensitisation concerns?
Isothiocyanates are among the more potent chemical sensitisers. Skin and respiratory sensitisation can develop from limited exposure, after which very small contacts provoke reactions. Enclosed handling and reliable PPE are essential.
Is it soluble in water?
No, and it should be kept away from water entirely. It dissolves in dichloromethane, THF, toluene, acetone, and most aprotic organic solvents.
What purity do you supply?
Standard grade is supplied at a minimum HPLC assay of 98% with free amine at or below 0.5% and moisture at or below 0.2%. Tighter specifications can be manufactured to order.
What packaging sizes are available?
5 kg, 25 kg, and 50 kg drums under nitrogen, with laboratory and pilot samples for development work.
How long can it be stored?
12 months in sealed, nitrogen-blanketed original packaging kept cool and dry. Material held longer should be re-assayed before use in a regulated route.
Do you provide a Certificate of Analysis?
Yes. Every batch is dispatched with a Certificate of Analysis and Safety Data Sheet covering HPLC assay, free amine, moisture, and appearance.