2-Methylbenzoyl isocyanate

Base Information

Chemical Name:2-Methylbenzoyl isocyanate
CAS No.:5843-45-8
Molecular Formula:C9H7NO2
Molecular Weight:161.16
Hs Code.:
DSSTox Substance ID:DTXSID90482836
Nikkaji Number:J515.654H

Synonyms:2-METHYLBENZOYL ISOCYANATE;5843-45-8;Benzoyl isocyanate, 2-methyl-;2-methylbenzoylisocyanate;2-methylbenzoyl-isocyanate;SCHEMBL4936719;DTXSID90482836;RZMVHCYCUAKRMM-UHFFFAOYSA-N;AKOS022300038

Suppliers and Price of 2-Methylbenzoyl isocyanate

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 1 raw suppliers

Chemical Property of 2-Methylbenzoyl isocyanate

Chemical Property:

XLogP3:3.6
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:161.047678466
Heavy Atom Count:12
Complexity:219

Purity/Quality:: 95% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CC=CC=C1C(=O)N=C=O

Technology Process of 2-Methylbenzoyl isocyanate

There total 5 articles about 2-Methylbenzoyl 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:

: 79-37-8
oxalyl dichloride

: 527-85-5
o-Methylbenzamid

: 5843-45-8
2-methyl-benzoylisocyanate

Guidance literature:: In 1,2-dichloro-ethane;
DOI:10.1021/jo01023a501

Reference yield:

: 118-90-1
ortho-methylbenzoic acid

: 5843-45-8
2-methyl-benzoylisocyanate

Guidance literature:: Multi-step reaction with 3 steps

1: thionyl chloride / toluene / 3 h / Reflux

2: ammonium hydroxide / 1 h / 0 - 10 °C

3: 1,2-dichloro-ethane / 6 h / Reflux; Inert atmosphere

With ammonium hydroxide; thionyl chloride; In 1,2-dichloro-ethane; toluene;
DOI:10.1016/j.bmcl.2016.03.085

Reference yield:

: 933-88-0
ortho-toluoyl chloride

: 5843-45-8
2-methyl-benzoylisocyanate

Guidance literature:: Multi-step reaction with 2 steps

1: ammonium hydroxide / 1 h / 0 - 10 °C

2: 1,2-dichloro-ethane / 6 h / Reflux; Inert atmosphere

With ammonium hydroxide; In 1,2-dichloro-ethane;
DOI:10.1016/j.bmcl.2016.03.085