trans-4-Aminocyclohexanecarboxylic acid

Base Information

• Chemical Name: trans-4-Aminocyclohexanecarboxylic acid
• CAS No.: 1776-53-0
• Deprecated CAS: 57043-03-5,66762-20-7
• Molecular Formula: C7H13 N O2
• Molecular Weight: 143.186
• Hs Code.: 2922499990
• European Community (EC) Number: 605-807-7,626-259-5,675-055-2
• NSC Number: 12785,12784
• DSSTox Substance ID: DTXSID30901273
• Nikkaji Number: J80.314F,J79.836C,J79.837A
• Mol file: 1776-53-0.mol

Synonyms:4-aminocyclohexanecarboxylic acid;4-aminocyclohexanecarboxylic acid, (cis)-isomer;4-aminocyclohexanecarboxylic acid, (trans)-isomer;4-aminocyclohexanecarboxylic acid, (trans-(+-))-isomer

Chemical Property of trans-4-Aminocyclohexanecarboxylic acid

Chemical Property:

• Vapor Pressure: 0.00103mmHg at 25°C
• Melting Point: 299-301 ºC
• Boiling Point: 280°C at 760 mmHg
• PKA: 4.46±0.10(Predicted)
• Flash Point: 123.1°C
• PSA: 63.32000
• Density: 1.133g/cm³
• LogP: 1.28880
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• Water Solubility.: almost transparency
• XLogP3: -2.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 143.094628657
• Heavy Atom Count: 10
• Complexity: 128

Purity/Quality:

99% ^*data from raw suppliers

4-AminocyclohexanecarboxylicAcid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi,Xn
• Statements: 36/37/38-41-37/38-22
• Safety Statements: 26-36/37/39-36-39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(CCC1C(=O)O)N

Technology Process of trans-4-Aminocyclohexanecarboxylic acid

There total 17 articles about trans-4-Aminocyclohexanecarboxylic 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: 99.0%

4-tert-butylsulfinamidocyclohexanecarboxylic acid → trans-4-aminocyclohexanecarboxylic acid (1776-53-0,3685-23-2,3685-25-4,57043-03-5,66762-20-7)

Guidance literature:

With trifluoroacetic acid; In dichloromethane; at 20 ℃; for 1h; Cooling with ice;

Reference yield: 95.7%

4-amino-benzoic acid (150-13-0,159246-81-8,8014-65-1) → 4-aminocyclohexanecarboxylic acid (1776-53-0)

Guidance literature:

With hydrogen; In water; at 80 ℃; for 4h; under 37503.8 Torr; Autoclave;

DOI:10.1039/c6ta01317a

Reference yield: 49.0%

4-amino-benzoic acid (150-13-0,159246-81-8,8014-65-1) → trans-4-aminocyclohexanecarboxylic acid (1776-53-0,3685-23-2,3685-25-4,57043-03-5,66762-20-7) + cis-4-aminocyclohexane-1-carboxylic acid (3685-23-2)

Guidance literature:

With hydrogen; platinum(IV) oxide; In ethanol; water; at 20 ℃; under 2689.17 Torr;

DOI:10.1016/S0223-5234(00)01206-X

upstream raw materials:

4-amino-benzoic acid

water

pentan-1-ol

ethyl 4-(hydroxyimino)cyclohexane-1-carboxylate

Downstream raw materials:

ethyl 4-amino-1-cyclohexanecarboxylate

2-aza-bicyclo[2.2.2]octan-3-one

ethyl trans-4-aminocyclohexanecarboxylate

trans-4-(trifluoroacetamido)cyclohexanecarboxylic acid

Refernces

• 1、 Chung, John Y. L.,Ho, Guo-Jie. "An improved preparation of 2-azabicyclo[2.2.2]octane". . p. 1985 - 1995. Retrieved 2002.
• 2、 -. "PROCESS FOR THE PREPARATION OF TRANS-4-AMINO-1-CYCLOHEXANECARBOXILIC ACID AND ITS DERIVATIVES". Page/Page column 10. . Retrieved 2017/09/02.
• 3、 -. "NOVEL MULTIMERIC CD40 LIGANDS, METHOD FOR PREPARING SAME AND USE THEREOF FOR PREPARING DRUGS". . . Retrieved 2010/08/07.