2,6-Diisopropylphenyl isocyanate

Base Information

• Chemical Name: 2,6-Diisopropylphenyl isocyanate
• CAS No.: 28178-42-9
• Deprecated CAS: 37780-62-4
• Molecular Formula: C13H17NO
• Molecular Weight: 203.284
• Hs Code.: 29299010
• European Community (EC) Number: 248-885-4
• UNII: 9F3446A37P
• DSSTox Substance ID: DTXSID9051959
• Nikkaji Number: J250.668H
• ChEMBL ID: CHEMBL109470
• Mol file: 28178-42-9.mol

Synonyms:2,6-Diisopropylphenyl isocyanate;28178-42-9;2,6-DIISOPROPYLPHENYLISOCYANATE;2-isocyanato-1,3-di(propan-2-yl)benzene;2-Isocyanato-1,3-diisopropylbenzene;Benzene, 2-isocyanato-1,3-bis(1-methylethyl)-;1,3-Bis(1-methylethyl)-2-isocyanatobenzene;Isocyanic acid, 2,6-diisopropylphenyl ester;EINECS 248-885-4;BRN 2645721;CHEMBL109470;Benzene, 1,3-bis(1-methylethyl)-2-isocyanato-;2-Isocyanato-1,3-diisopropyl-benzene;9F3446A37P;2,6-bis(1-methylethyl)phenyl isocyanate;EC 248-885-4;Isocyanic Acid 2,6-Diisopropylphenyl Ester;MFCD00008882;SCHEMBL191769;2,6-diisopropylphenylisocynate;DTXSID9051959;UNII-9F3446A37P;2,6 diisopropylphenyl isocyanate;2,6-diisopropyl phenylisocyanate;2,6-diisopropyl-phenylisocyanate;2,6-Diisopropylphenyl-isocyanate;2.6-diisopropylphenyl isocyanate;2,6-diisopropyl phenyl isocyanate;2,6-diisopropyl-phenyl isocyanate;STR04916;2,6-Bis(isopropyl)phenyl isocyanate;BDBM50409551;AKOS015889872;2-Isocyanato-1,3-diisopropylbenzene #;2,6-bis(1-methylethyl)phenylisocyanate;2,6-Diisopropylphenyl isocyanate, 98%;2,6-?Diisopropylphenyl isocyanate, 97%;LS-29155;2,6-bis (1-methylethyl)phenyl isocyanate;2-isocyanato-1,3-bis(propan-2-yl)benzene;D3658;FT-0638767;D82529;A819364;W-107065;2,6-Diisopropylphenyl isocyanate, technical grade, 90%

Chemical Property of 2,6-Diisopropylphenyl isocyanate

Chemical Property:

• Appearance/Colour: clear colorless to slightly yellow liquid
• Vapor Pressure: 0.0261mmHg at 25°C
• Refractive Index: n20/D 1.519(lit.)
• Boiling Point: 247.2 °C at 760 mmHg
• Flash Point: 107.2 °C
• PSA: 29.43000
• Density: 0.95 g/cm³
• LogP: 3.90070
• Storage Temp.: 2-8°C
• Sensitive.: Moisture Sensitive
• Solubility.: Chloroform, Methanol (Slightly)
• XLogP3: 5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 203.131014166
• Heavy Atom Count: 15
• Complexity: 225

Purity/Quality:

99% ^*data from raw suppliers

2,6-Diisopropylphenyl isocyanate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T+
• Hazard Codes: T+
• Statements: 26-36/37/38-42-21/22
• Safety Statements: 23-26-36/37/39-45-28A

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C1=C(C(=CC=C1)C(C)C)N=C=O

Technology Process of 2,6-Diisopropylphenyl isocyanate

There total 25 articles about 2,6-Diisopropylphenyl isocyanate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 99.0%

di-tert-butyl dicarbonate (24424-99-5) + 2,6-diisopropylbenzenamine (24544-04-5) → 2,6-diisopropylphenyl isocyanate (28178-42-9)

Guidance literature:

With dmap; In acetonitrile; at 25 ℃; for 0.166667h;

Reference yield: 94.0%

N,N'-bis(2,6-diisopropylphenyl)carbodiimide (2162-74-5) + acetic acid (64-19-7,77671-22-8) → N-(2,6-diisopropylphenyl) acetamide (16637-13-1) + 2,6-diisopropylphenyl isocyanate (28178-42-9)

Guidance literature:

In benzene; for 3h; Heating;

Reference yield: 92.0%

N,N'-bis(2,6-diisopropylphenyl)carbodiimide (2162-74-5) + butyric acid (107-92-6) → 2,6-diisopropylphenyl isocyanate (28178-42-9) + N-(2,6-diisopropylphenyl)butanamide (113416-63-0)

Guidance literature:

In benzene; for 3h; Heating;

upstream raw materials:

phosgene

2,6-diisopropylaniline hydrochloric acid salt

2,6-diisopropylbenzenamine

phenyl isocyanate

Downstream raw materials:

4-(2,6-Diisopropylphenyl)-1-(ethoxycarbonyl)semicarbazide

1-(2,6-diisopropylphenyl)-3-phenylurea

1-Butyl-3-(2,6-diisopropyl-phenyl)-urea

N-<2,6-bis(1-methylethyl)phenyl>-N'-<<1-<4-(dimethylamino)phenyl>cyclopentyl>methyl>urea

Refernces

• 1、 Drover, Marcus W.,Schafer, Laurel L.,Love, Jennifer A.. "Isocyanate deinsertion from κ1-O amidates: facile access to perfluoroaryl rhodium(i) complexes". . p. 19487 - 19493. Retrieved 2015.
• 2、 Vovk,Kraitor,Mel'nichenko. "Direct amidation of (2-benzazolylthio)acetic acids by sterically hindered carbodiimides". . p. 1096 - 1097. Retrieved 1998.
• 3、 -. "NOVEL SULFONAMIDE CARBOXAMIDE COMPOUNDS". Page/Page column 108; 109. . Retrieved 2019/01/21.