3-Bromo-5-methyladamantane-1-carbonitrile

Base Information

Chemical Name:3-Bromo-5-methyladamantane-1-carbonitrile
CAS No.:25187-58-0
Molecular Formula:C₁₂H₁₆BrN
Molecular Weight:254.17
Hs Code.:
NSC Number:179380
DSSTox Substance ID:DTXSID50306701
Mol file:25187-58-0.mol

Synonyms:25187-58-0;3-bromo-5-methyladamantane-1-carbonitrile;NSC179380;DTXSID50306701;NSC-179380

Suppliers and Price of 3-Bromo-5-methyladamantane-1-carbonitrile

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 5 raw suppliers

Chemical Property of 3-Bromo-5-methyladamantane-1-carbonitrile

Chemical Property:

Vapor Pressure:0.000302mmHg at 25°C
Boiling Point:321.2°Cat760mmHg
Flash Point:148.1°C
Density:1.41g/cm³
XLogP3:3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:0
Exact Mass:253.04661
Heavy Atom Count:14
Complexity:344

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC12CC3CC(C1)(CC(C3)(C2)Br)C#N

Technology Process of 3-Bromo-5-methyladamantane-1-carbonitrile

There total 2 articles about 3-Bromo-5-methyladamantane-1-carbonitrile 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:

: 24674-95-1
3-Methyl-5-bromadamantan-1-carboxamid

: 25187-58-0,26768-53-6
3-Methyl-5-brom-1-cyano-adamantan

Guidance literature:: With thionyl chloride; In benzene;
DOI:10.1021/ja01049a002

Reference yield:

: 14670-95-2,26768-52-5
5-methyl-3-bromoadamantane-1-carboxylic acid

: 25187-58-0,26768-53-6
3-Methyl-5-brom-1-cyano-adamantan

Guidance literature:: Multi-step reaction with 2 steps

1: (i) SOCl₂, (ii) aq. NH₃

2: SOCl₂ / benzene

With thionyl chloride; In benzene;
DOI:10.1021/ja01049a002