3-Cyanobicyclo[1.1.1]pentane-1-carboxylic acid

Base Information

Chemical Name:3-Cyanobicyclo[1.1.1]pentane-1-carboxylic acid
CAS No.:83249-02-9
Molecular Formula:C7H7NO2
Molecular Weight:137.138
Hs Code.:
European Community (EC) Number:820-730-0
DSSTox Substance ID:DTXSID801248645
Nikkaji Number:J1.740.608F

Synonyms:3-Cyanobicyclo[1.1.1]pentane-1-carboxylic acid;83249-02-9;Bicyclo[1.1.1]pentane-1-carboxylic acid, 3-cyano-;MFCD19229172;3-Cyanobicyclo[1.1.1]pentane-1-carboxylicacid;SCHEMBL22235786;DTXSID801248645;AKOS006375910;SB22177;BS-42986;SY322300;CS-0056908;EN300-113973;P18444;EN300-37374016

Suppliers and Price of 3-Cyanobicyclo[1.1.1]pentane-1-carboxylic acid

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 3-Cyanobicyclo[1.1.1]pentane-1-carboxylic acid

Chemical Property:

XLogP3:-0.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:137.047678466
Heavy Atom Count:10
Complexity:240

Purity/Quality:: 98% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1C2(CC1(C2)C(=O)O)C#N

Technology Process of 3-Cyanobicyclo[1.1.1]pentane-1-carboxylic acid

There total 7 articles about 3-Cyanobicyclo[1.1.1]pentane-1-carboxylic acid 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%

: 156329-62-3
3-(hydroxymethyl)bicyclo[1.1.1]pentane-1-carbonitrile

: 83249-02-9
3-cyanobicyclo<1.1.1>pentane-1-carboxylic acid

Guidance literature:: With sodium hydroxide; In methanol; for 1.5h; Ambient temperature;
DOI:10.1021/jo00090a015

Reference yield: 56.5%

: 83249-01-8
3-phenylbicyclo<1.1.1>pentanecarbonitrile

: 83249-02-9
3-cyanobicyclo<1.1.1>pentane-1-carboxylic acid

Guidance literature:: With ruthenium(IV) oxide; sodium hydroxide; sodium hypochlorite; In tetrachloromethane; for 93h;
DOI:10.1021/jo00146a031

Reference yield:

: 83249-10-9
3‐(methoxycarbonyl)bicyclo[1.1.1]pentane‐1‐carboxylic acid

: 83249-02-9
3-cyanobicyclo<1.1.1>pentane-1-carboxylic acid

Guidance literature:: Multi-step reaction with 4 steps

1: 97 percent / oxalyl chloride, dimethylformamide / diethyl ether / 0.5 h

2: 90 percent / NH₃ / CH₂Cl₂ / 0.75 h / Ambient temperature

3: 95 percent / SOCl₂ / 2 h / Heating

4: 97 percent / aq. NaOH / methanol / 1.5 h / Ambient temperature

With sodium hydroxide; thionyl chloride; oxalyl dichloride; ammonia; N,N-dimethyl-formamide; In methanol; diethyl ether; dichloromethane;
DOI:10.1021/jo00090a015