Trans-4-cyanocyclohexanecarboxylic acid

Base Information

• Chemical Name: Trans-4-cyanocyclohexanecarboxylic acid
• CAS No.: 15177-68-1
• Molecular Formula: C8H11NO2
• Molecular Weight: 153.181
• European Community (EC) Number: 837-110-0,856-517-4
• DSSTox Substance ID: DTXSID50435944
• Nikkaji Number: J431.556A,J22.858C
• Mol file: 15177-68-1.mol

Synonyms:Trans-4-cyanocyclohexanecarboxylic acid;15177-68-1;4-cyanocyclohexane-1-carboxylic Acid;4848-16-2;4-Cyanocyclohexanecarboxylic acid;Cyclohexanecarboxylic acid, 4-cyano-, trans-;MFCD27945176;trans-4-cyanocyclohexane-1-carboxylic acid;SCHEMBL594106;SCHEMBL594107;SCHEMBL7338818;4-Cyanocyclohexylcarboxylic acid;SCHEMBL21466731;DTXSID50435944;4-cyano-cyclohexanecarboxylic acid;KJZWYCAIEUYAIW-LJGSYFOKSA-N;KJZWYCAIEUYAIW-UHFFFAOYSA-N;cis-4-cyanocyclohexanecarboxylic acid;Trans-4-cyanocyclohexanecarboxylicacid;AKOS022634975;trans-4-cyanocyclohexane carboxylic acid;AS-43240;SY260643;trans-4-cyano-cyclohexane-1-carboxylic acid;CS-0133525;CS-0379846;4alpha-Cyano-1alpha-cyclohexanecarboxylic acid;D78745;EN300-105437;A920348;A1-08120;Z1262514759

Chemical Property of Trans-4-cyanocyclohexanecarboxylic acid

Chemical Property:

• PSA: 61.09000
• LogP: 1.40098
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 153.078978594
• Heavy Atom Count: 11
• Complexity: 195

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1CC(CCC1C#N)C(=O)O

Technology Process of Trans-4-cyanocyclohexanecarboxylic acid

There total 2 articles about Trans-4-cyanocyclohexanecarboxylic 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:

trans-1,4-cyclohexanedicarbonitrile (6550-85-2) → trans-4-cyanocyclohexane-1-ylcarboxylic acid (15177-68-1)

Guidance literature:

With dipotassium hydrogenphosphate; potassium dihydrogenphosphate; Acremonium sp. D₉K; Thiamine hydrochloride; magnesium sulfate; glycerol; sodium chloride; biotin; In water; at 30 ℃; Product distribution; at different pHs, effect of various carbon and nitrogen sources;

Reference yield:

→ trans-4-cyanocyclohexane-1-ylcarboxylic acid (15177-68-1)

Guidance literature:

trans-Methyl-4-cyan-cyclohexancarboxylat, KOH, Me.;

DOI:10.1021/ja01495a038

Reference yield: 92.0%

concentrated ammonia water + trans-4-cyanocyclohexane-1-ylcarboxylic acid (15177-68-1) → trans-4-aminomethyl-cyclohexyl-carboxylic acid (1197-18-8)

Guidance literature:

aluminum nickel; In methanol; water; acetone;

upstream raw materials:

trans-1,4-cyclohexanedicarbonitrile

Downstream raw materials:

methyl trans-4-cyanocyclohexane-1-carboxylate

1,1-ethylidene bis(trans-4-cyanocyclohexanecarboxylate)

1,1-propandiol bis-(trans-4-cyanocyclohexanecarboxylate)

4-Cyano-cyclohexanecarbonyl chloride

Refernces

• 1、 Nishise, Hiroshi,Kurihara, Makoto,Tani, Yoshiki. "Microbial Synthesis of a Tranexamic Acid Intermediate from Dinitrile". . p. 2613 - 2616. Retrieved 2007/10/02.