1,3-Bis(isocyanomethyl)benzene

Base Information

Chemical Name:1,3-Bis(isocyanomethyl)benzene
CAS No.:188540-42-3
Molecular Formula:C10H8N2
Molecular Weight:156.187
Hs Code.:
DSSTox Substance ID:DTXSID70607949
Nikkaji Number:J959.945B
Wikidata:Q82507053
Mol file:188540-42-3.mol

Synonyms:1,3-bis(isocyanomethyl)benzene;188540-42-3;3-(ISOCYANOMETHYL)BENZYL-ISOCYANIDE;SCHEMBL407367;DTXSID70607949;AKOS006295218

Suppliers and Price of 1,3-Bis(isocyanomethyl)benzene

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 8 raw suppliers

Chemical Property of 1,3-Bis(isocyanomethyl)benzene

Chemical Property:

PSA：0.00000
LogP:0.98660
XLogP3:1.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:156.068748264
Heavy Atom Count:12
Complexity:203

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:[C-]#[N+]CC1=CC(=CC=C1)C[N+]#[C-]

Technology Process of 1,3-Bis(isocyanomethyl)benzene

There total 2 articles about 1,3-Bis(isocyanomethyl)benzene 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:

: 59276-03-8
N,N'-(1,3-phenylenebis(methylene))diformamide

: 188540-42-3
m-xylylene diisocyanide

Guidance literature:: With triethylamine; trichlorophosphate; In dichloromethane; at -60 - 20 ℃; Inert atmosphere;
DOI:10.1039/b715393g

Reference yield:

: 1477-55-0
1,3-di(aminomethyl)benzene

: 188540-42-3
m-xylylene diisocyanide

Guidance literature:: Multi-step reaction with 2 steps

1.1: toluene / 8 h / Reflux

2.1: triethylamine / dichloromethane / 0 °C

2.2: 3 h / 0 - 20 °C

With triethylamine; In dichloromethane; toluene;
DOI:10.1016/j.bmcl.2014.05.071

Reference yield: 40.0%

: 50-00-0,30525-89-4,61233-19-0
formaldehyd

: 188540-42-3
m-xylylene diisocyanide

: 13574-13-5
Boc-Glu(OBzl)-OH

: 3844-53-9,5721-12-0
L-lysine ethyl ester dihydrochloride

: 1034473-44-3
C₅₄H₇₂N₆O₁₄

Guidance literature:: formaldehyd; L-lysine ethyl ester dihydrochloride; In methanol; at 20 ℃; for 2h;

Boc-Glu(OBzl)-OH; In methanol; for 0.5h;

m-xylylene diisocyanide; In methanol;
DOI:10.1039/b715393g