TERT-OCTYL ISOCYANATE

Base Information

• Chemical Name: TERT-OCTYL ISOCYANATE
• CAS No.: 1611-57-0
• Molecular Formula: C9H17 N O
• Molecular Weight: 155.24
• Hs Code.: 2929109000
• Mol file: 1611-57-0.mol

Synonyms:Isocyanicacid, 1,1,3,3-tetramethylbutyl ester (6CI,7CI,8CI); 1,1,3,3-Tetramethylbutylisocyanate; 2,2,4-Trimethylpentan-4-yl isocyanate;2-Isocyanato-2,4,4-trimethylpentane; NSC 6402; tert-Octyl isocyanate

Chemical Property of TERT-OCTYL ISOCYANATE

Chemical Property:

• Refractive Index: n20/D 1.426(lit.)
• Boiling Point: 183°Cat760mmHg
• Flash Point: 62.6°C
• PSA: 29.43000
• Density: 0.83g/cm³
• LogP: 2.53700
• Storage Temp.: 2-8°C
• Sensitive.: Moisture Sensitive

Purity/Quality:

98%,99%, ^*data from raw suppliers

tert-OctylIsocyanate ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 10-20/21/22-36/37/38
• Safety Statements: 16-23-26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Uses: 1,1,3,3-Tetramethylbutyl isocyanate may be used in the synthesis of amides by Grignard reaction.

Technology Process of TERT-OCTYL ISOCYANATE

There total 13 articles about TERT-OCTYL 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: 97.0%

tert-Octylamine (107-45-9) + di-tert-butyl dicarbonate (24424-99-5) → 1,1,3,3-tetramethylbutyl isocyanate (1611-57-0)

Guidance literature:

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

Reference yield: 93.0%

tert-Octylamine (107-45-9) + di-tert-butyl tricarbonate (24424-95-1) → 1,1,3,3-tetramethylbutyl isocyanate (1611-57-0)

Guidance literature:

In dichloromethane; for 0.0833333h; Ambient temperature;

DOI:10.1016/S0040-4039(98)02515-5

Reference yield: 87.0%

tert-Octylamine (107-45-9) + carbon dioxide (124-38-9,18923-20-1) → 1,1,3,3-tetramethylbutyl isocyanate (1611-57-0)

Guidance literature:

With di-isopropyl azodicarboxylate; triphenylphosphine; In dichloromethane; at -78 - 20 ℃; under 760 Torr;

DOI:10.1021/jo982362j

upstream raw materials:

ethyl N-1,1,3,3-tetramethylbutylcarbamate

N,N'-bis(1,1,3,3-tetramethylbutyl)urea

phosgene

tert-Octylamine

Downstream raw materials:

cyclohexyl-(1,1,3,3-tetramethyl-butyl)-carbodiimide

(1,1,3,3-Tetramethyl-butyl)-carbamic acid 3-methylsulfanylcarbonylamino-phenyl ester

2,4,6-trimethyl-N-(2,4,4-trimethylpentan-2-yl)benzamide

1,3,5-tris(t-octylureidomethyl)-2,4,6-tris(benzyloxymethyl)-benzene

Refernces

• 1、 Saylik, Dilek,Horvath, Michael J.,Elmes, Patricia S.,Jackson, W. Roy,Lovel, Craig G.,Moody, Keith. "Preparation of isocyanates from primary amines and carbon dioxide using Mitsunobu chemistry". . p. 3940 - 3946. Retrieved 2007/10/03.
• 2、 Peerlings,Meijer. "A mild and convenient method for the preparation of multi-isocyanates starting from primary amines". . p. 1021 - 1024. Retrieved 2007/10/03.