Methyl trans-4-Aminocyclohexanecarboxylate Hydrochloride

Base Information

• Chemical Name: Methyl trans-4-Aminocyclohexanecarboxylate Hydrochloride
• CAS No.: 100707-54-8
• Molecular Formula: C₈H₁₅NO₂*ClH
• Molecular Weight: 193.674
• Hs Code.: 2922499990
• European Community (EC) Number: 801-597-8,808-817-1,809-433-7
• DSSTox Substance ID: DTXSID80976895
• NSC Number: 145378,145143
• Mol file: 100707-54-8.mol

Synonyms:61367-07-5;61367-16-6;Methyl trans-4-Aminocyclohexanecarboxylate Hydrochloride;100707-54-8;Methyl 4-Aminocyclohexanecarboxylate Hydrochloride;Methyl cis-4-Aminocyclohexanecarboxylate Hydrochloride;cis-Methyl 4-aminocyclohexanecarboxylate hydrochloride;methyl 4-aminocyclohexane-1-carboxylate hydrochloride;4-Amino-cyclohexanecarboxylic acid methyl ester hydrochloride;trans-4-Amino-cyclohexanecarboxylic acid methyl ester hydrochloride;Methyl 4-aminocyclohexanecarboxylate HCl;methyl 4-aminocyclohexane-1-carboxylate;hydrochloride;methyl 4-aminocyclohexane-1-carboxylate HCl;Methyl cis-4-aminocyclohexanecarboxylate HCl;trans-Methyl 4-aminocyclohexanecarboxylate hydrochloride;cis-4-Amino-cyclohexanecarboxylic acid methyl ester Hydrochloride;cis-4-Aminocyclohexanecarboxylic Acid Methyl Ester Hydrochloride;TRANS-4-AMINO-CYCLOHEXYLCARBOXYLIC ACID METHYL ESTER HYDROCHLORIDE;MFCD08274537;MFCD08274538;MFCD11870896;methyl (1r,4r)-4-aminocyclohexane-1-carboxylate hydrochloride;methyl (1s,4s)-4-aminocyclohexane-1-carboxylate hydrochloride;trans-4-Amino-cyclohexanecarboxylic acid methyl ester;trans-4-Aminocyclohexanecarboxylic Acid Methyl Ester Hydrochloride;Cyclohexanecarboxylic acid, 4-amino-, methyl ester, hydrochloride (1:1);Methyl trans-4-aminocyclohexanecarboxylate HCl;METHYL TRANS-4-AMINOCYCLOHEXANECARBOXYLATE, HCL;4-Aminocyclohexanecarboxylic Acid Methyl Ester Hydrochloride;Cyclohexanecarboxylic acid, 4-amino-, methyl ester, hydrochloride;H-1,4-cis-ACHC-OMe*HCl;H-1,4-trans-ACHC-OMe*HCl;H-1,4-CIS-ACHC-OME HCL;Cyclohexanecarboxylic acid, 4-amino-, methyl ester, hydrochloride, cis-;SCHEMBL363033;SCHEMBL363034;SCHEMBL1178819;DTXSID80976895;NHAYDXCUCXRAMF-MEZFUOHNSA-N;NHAYDXCUCXRAMF-UKMDXRBESA-N;AMY34206;BCP17061;H-1,4-cis-ACHC-OMe Hydrochloride;AB9597;CIS-4-AMINO-CYCLOHEXYLCARBOXYLIC ACID METHYL ESTER HYDROCHLORIDE;NSC145143;NSC145378;SC5021;AKOS015845731;AKOS015849557;AKOS015906979;CS-W005921;CS-W015759;DS-8847;GS-3852;NSC-145143;NSC-145378;PB17505;PB31055;SB30077;AS-44979;SY022826;SY022827;SY027952;DB-072945;DB-360778;AM20070500;CS-0342482;M1984;M1985;M1986;EN300-70806;Methyl4-AminocyclohexanecarboxylateHydrochloride;EN300-1716728;EN300-1719516;A868724;Methyl 4-aminocyclohexane Carboxylate Hydrochloride;A1-01086;cis-4-Aminocyclohexanecarboxylic acid methyl ester hcl;methyl cis-4-aminocyclo-hexanecarboxylate hydrochloride;TRANS-METHYL 4-AMINOCYCLOHEXANECARBOXYLATE HCL;methyl cis-4-aminocyclohexane-1-carboxylate hydrochloride;methyl trans-4-aminocyclohexane carboxylate hydrochloride;methyl trans-4-aminocyclohexane-carboxylate-hydrochloride;trans-methyl 4-amino-cyclohexanecarboxylate hydrochloride;Z1255356909;Z1255361219;Z1270446306;(trans)-methyl 4-aminocyclohexanecarboxylate hydrochloride;methyl cis-4-amino-1-cyclohexane carboxylate hydrochloride;Methyl trans-4-aminocyclohexane-1-carboxylate hydrochloride;cis-4-amino-cyclohexanecarboxylic methyl ester, hydrochloride;cis-4-Aminocyclohexylcarboxylic acid methyl ester hydrochloride;Methyl trans-4-aminocyclohexanecarboxylate hydrochloride (1:1);(1R,4R)-METHYL 4-AMINOCYCLOHEXANECARBOXYLATE HYDROCHLORIDE;cis-4-amino-cyclohexanecarboxylic acid, methyl ester hydrochloride;Methyl 4-aminocyclohexane-1-carboxylate--hydrogen chloride (1/1);4-Amino-cyclohexanecarboxylic acid methyl ester hydrochloride, AldrichCPR;cis-4-Amino-cyclohexanecarboxylic acid methyl ester Hydrochloride, AldrichCPR;trans-4-Amino-cyclohexanecarboxylic acid methyl ester hydrochloride, AldrichCPR

Chemical Property of Methyl trans-4-Aminocyclohexanecarboxylate Hydrochloride

Chemical Property:

• PSA: 52.32000
• LogP: 2.17920
• Storage Temp.: Inert atmosphere,Room Temperature
• Water Solubility.: Soluble in water
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 193.0869564
• Heavy Atom Count: 12
• Complexity: 139

Purity/Quality:

98%,99%, ^*data from raw suppliers

Methyl 4-Aminocyclohexanecarboxylate Hydrochloride (cis- and trans- mixture) >98.0%(N)(T) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1CCC(CC1)N.Cl

Technology Process of Methyl trans-4-Aminocyclohexanecarboxylate Hydrochloride

There total 2 articles about Methyl trans-4-Aminocyclohexanecarboxylate Hydrochloride 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: 96.1%

methanol (67-56-1) + trans-4-aminocyclohexanecarboxylic acid (1776-53-0,3685-23-2,3685-25-4,57043-03-5,66762-20-7) → trans-4-aminocyclohexylcarboxylic acid methyl ester hydrochloride (61367-07-5,61367-16-6,100707-54-8)

Guidance literature:

With thionyl chloride; at -10 ℃; for 1.5h; Reflux;

Reference yield:

methyl (1R,4R)-4-((tert-butoxycarbonyl)amino)cyclohexane-1-carboxylate (146307-51-9) → trans-4-aminocyclohexylcarboxylic acid methyl ester hydrochloride (61367-07-5,61367-16-6,100707-54-8)

Guidance literature:

With hydrogenchloride; In 1,4-dioxane; at 20 ℃; for 19h;

Reference yield: 99.0%

di-tert-butyl dicarbonate (24424-99-5) + trans-4-aminocyclohexylcarboxylic acid methyl ester hydrochloride (61367-07-5,61367-16-6,100707-54-8) → methyl (1R,4R)-4-((tert-butoxycarbonyl)amino)cyclohexane-1-carboxylate (146307-51-9)

Guidance literature:

With sodium hydroxide; In dichloromethane; water; at 0 - 23 ℃; for 1.16667h;

DOI:10.1016/j.bmc.2019.115193

upstream raw materials:

methyl (1R,4R)-4-((tert-butoxycarbonyl)amino)cyclohexane-1-carboxylate

methanol

trans-4-aminocyclohexanecarboxylic acid

Downstream raw materials:

methyl trans-4-[(3-hydroxypropanoyl)amino]cyclohexanecarboxylate

methyl trans-4-(morpholin-4-ylcarbonyl)cyclohexane carboxylate

methyl trans-4-(pyrrolidin-1-ylcarbonyl)cyclohexane carboxylate

methyl trans-4-({2-[(t-butoxycarbonyl)amino]ethyl}amino)-cyclohexanecarboxylate

Refernces

• 1、 -. "NITROGENOUS FUSED BICYCLIC COMPOUND". Page/Page column 56. . Retrieved 2010/11/26.