Ethyl 1-aminocyclohexanecarboxylate

Base Information

• Chemical Name: Ethyl 1-aminocyclohexanecarboxylate
• CAS No.: 1664-34-2
• Molecular Formula: C9H17 N O2
• Molecular Weight: 171.239
• Hs Code.: 2922499990
• NSC Number: 9878
• DSSTox Substance ID: DTXSID30278750
• Nikkaji Number: J80.277H
• Wikidata: Q82010854
• Mol file: 1664-34-2.mol

Synonyms:1664-34-2;ethyl 1-aminocyclohexanecarboxylate;ethyl 1-aminocyclohexane-1-carboxylate;1-AMINO-CYCLOHEXANECARBOXYLIC ACID ETHYL ESTER;1-aminocyclohexanecarboxylic acid ethyl ester;NSC9878;SCHEMBL1837607;ethyl1-aminocyclohexanecarboxylate;DTXSID30278750;BAA66434;NSC 9878;NSC-9878;MFCD10566110;STL191436;AKOS009265701;SB34146;aminocyclohexanecarboxylic acid ethyl ester;CS-0340243;FT-0744949;EN300-58159;AB00999644-01;A810735;1-Amino-cyclohexanecarboxylic acid ethyl ester, AldrichCPR;1-Amino-cyclohexanecarboxylic acid ethyl ester (H-Ac6c-OEt)

Chemical Property of Ethyl 1-aminocyclohexanecarboxylate

Chemical Property:

• Vapor Pressure: 0.0682mmHg at 25°C
• Boiling Point: 229.8°C at 760 mmHg
• PKA: 7.39±0.70(Predicted)
• Flash Point: 96.8°C
• PSA: 52.32000
• Density: 1.028g/cm³
• LogP: 1.91140
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 171.125928785
• Heavy Atom Count: 12
• Complexity: 162

Purity/Quality:

97% ^*data from raw suppliers

Ethyl1-Aminocyclohexanecarboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1(CCCCC1)N

Technology Process of Ethyl 1-aminocyclohexanecarboxylate

There total 7 articles about Ethyl 1-aminocyclohexanecarboxylate 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: 95.0%

ethyl 1-cyanocyclohexane-1-carboxylate (1130-21-8) → 1-amino-1-cyclohexanecarboxylic acid ethyl ester (1664-34-2)

Guidance literature:

With hydrogenchloride; In ethanol; for 24h; Ambient temperature;

Reference yield:

1-aminocyclohexane carboxylic acid (2756-85-6) → 1-amino-1-cyclohexanecarboxylic acid ethyl ester (1664-34-2)

Guidance literature:

With sodium hydroxide;

Reference yield:

3,4-dichlorophenyl isocyanate (34893-92-0) → 1-amino-1-cyclohexanecarboxylic acid ethyl ester (1664-34-2)

Guidance literature:

With triethylamine; In (2S)-N-methyl-1-phenylpropan-2-amine hydrate; ethanol;

upstream raw materials:

ethanol

1-aminocyclohexane carboxylic acid

ethyl 1-cyanocyclohexane-1-carboxylate

1,5-dibromo-pentane

Downstream raw materials:

2-(1-hydroxycyclohexyl)propan-2-ol

1-(1-amino-cyclohexyl)-ethanone

1-(1-amino-cyclohexyl)-propan-1-one

1--1-cyclohexanol