Ethyl cis-2-amino-1-cyclohexanecarboxylate hydrochloride

Base Information

• Chemical Name: Ethyl cis-2-amino-1-cyclohexanecarboxylate hydrochloride
• CAS No.: 1127-99-7
• Molecular Formula: C₉H₁₇NO₂*ClH
• Molecular Weight: 207.7
• Hs Code.: 29224999
• European Community (EC) Number: 877-872-1
• Mol file: 1127-99-7.mol

Synonyms:1127-99-7;ETHYL CIS-2-AMINO-1-CYCLOHEXANECARBOXYLATE HYDROCHLORIDE;180979-17-3;cis-Ethyl 2-aminocyclohexanecarboxylate hydrochloride;(1R,2S)-ETHYL 2-AMINOCYCLOHEXANECARBOXYLATE HYDROCHLORIDE;cis-2-Amino-cyclohexanecarboxylic acid ethyl ester hydrochloride;ethyl (1R,2S)-2-aminocyclohexane-1-carboxylate hydrochloride;ethyl (1R,2S)-2-aminocyclohexane-1-carboxylate;hydrochloride;Cyclohexanecarboxylic acid, 2-amino-, ethyl ester, hydrochloride, cis-;Ethyl (1S,2R/1R,2S)-2-aminocyclohexanecarboxylate hydrochloride (relative stereochemistry cis racemate);Ethyl (1R,2S)-2-aminocyclohexane-1-carboxylate HCl;SCHEMBL335450;BAA12799;MFCD04037993;AKOS022180652;EL-0723;CS-0133003;EN300-226200;EN300-244892;P19069;(1r,2s)-ethyl 2-aminocyclohexanecarboxylate hcl;A901361;ethyl cis-2-amino-1-cyclohexanecarboxylate HCl salt;ethyl cis-2-aminocyclohexanecarboxylate hydrochloride;ethyl (cis)-2-aminocyclohexanecarboxylate hydrochloride;Ethyl cis-2-aminocyclohexane-1-carboxylate hydrochloride;Ethyl-cis-2-amino-1-cyclohexanecarboxylate hydrochloride;Z2234185617;ethyl (+/-)-cis-2-aminocyclohexanecarboxylate hydrochloride;(1R,2S)-ETHYL2-AMINOCYCLOHEXANECARBOXYLATEHYDROCHLORIDE;cis-2-Aminocyclohexanecarboxylic acid ethyl ester hydrochloride;Ethyl (1S,2R/1R,2S)-2-aminocyclohexanecarboxylate hydrochloride;rac-ethyl (1R,2S)-2-aminocyclohexane-1-carboxylate hydrochloride

Chemical Property of Ethyl cis-2-amino-1-cyclohexanecarboxylate hydrochloride

Chemical Property:

• Vapor Pressure: 0.0505mmHg at 25°C
• Melting Point: 128-135 °C
• Boiling Point: 235.3°Cat760mmHg
• Flash Point: 101.5°C
• PSA: 52.32000
• Density: g/cm³
• LogP: 2.56930
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 207.1026065
• Heavy Atom Count: 13
• Complexity: 159

Purity/Quality:

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

Ethyl(1S,2R/1R,2S)-2-aminocyclohexanecarboxylatehydrochloride(relativestereochemistrycisracemate) >95% ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1CCCCC1N.Cl
• Isomeric SMILES: CCOC(=O)[C@@H]1CCCC[C@@H]1N.Cl

Technology Process of Ethyl cis-2-amino-1-cyclohexanecarboxylate hydrochloride

There total 2 articles about Ethyl cis-2-amino-1-cyclohexanecarboxylate 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: 57.0%

ethanol (64-17-5) + (+/-)-trans-1,2-cyclohexanedicarboxylic anhydride (14166-21-3) → ethyl-(trans-2-amino-1-cyclohexanecarboxylate)hydrochloride (1127-99-7,28250-14-8,90950-07-5,180979-18-4,1346773-57-6)

Guidance literature:

(+/-)-trans-1,2-cyclohexanedicarboxylic anhydride; With trimethylsilylazide; In 1,4-dioxane; at 70 - 80 ℃; Heating;

With water; In 1,4-dioxane; at 0 ℃; for 0.166667h; Reflux;

ethanol; With hydrogenchloride; In 1,4-dioxane; water; for 2h; Reflux;

DOI:10.1021/jm301872x

Reference yield:

ethanol (64-17-5) + 1,2-cis-cyclohexanedicarboxylic anhydride (13149-00-3) → ethyl cis-2-amino-1-cyclohexanecarboxylate hydrochloride (1127-99-7,28250-14-8,90950-07-5,180979-18-4,1346773-57-6)

Guidance literature:

1,2-cis-cyclohexanedicarboxylic anhydride; With trimethylsilylazide; In 1,4-dioxane; Reflux;

ethanol; With hydrogenchloride; In 1,4-dioxane; water; Reflux;

DOI:10.1021/jm301872x

Reference yield: 94.0%

benzoyl chloride (98-88-4) + ethyl cis-2-amino-1-cyclohexanecarboxylate hydrochloride (1127-99-7,28250-14-8,90950-07-5,180979-18-4,1346773-57-6) → ethyl cis-2-benzoylamino-1-cyclohexanecarboxylate (26693-56-1,26693-57-2,65376-25-2,93301-92-9,93301-93-0)

Guidance literature:

for 2h;

DOI:10.1016/S0040-4020(01)88446-5

upstream raw materials:

ethanol

1,2-cis-cyclohexanedicarboxylic anhydride

(+/-)-trans-1,2-cyclohexanedicarboxylic anhydride

Downstream raw materials:

ethyl cis-2-ethoxycarbonylamino-1-cyclohexanecarboxylate

ethyl cis-2-benzoylamino-1-cyclohexanecarboxylate

(1S,2R)-2-[4,5,4',5'-Tetrahydro-[2,3']bithiazolyl-(2'Z)-ylideneamino]-cyclohexanecarboxylic acid ethyl ester

cis-5,6-tetramethylene-5,6-dihydropyrimidine-2,4(1H,3H)-dione

Refernces