6-(Ethoxycarbonyl)cyclohex-3-en-1-aminium

Base Information

• Chemical Name: 6-(Ethoxycarbonyl)cyclohex-3-en-1-aminium
• CAS No.: 142547-16-8
• Molecular Formula: C₉H₁₅NO₂*ClH
• Molecular Weight: 205.685
• Hs Code.: 29224985
• DSSTox Substance ID: DTXSID10931518
• Wikidata: Q82907082
• Mol file: 142547-16-8.mol

Synonyms:DTXSID10931518;6-(Ethoxycarbonyl)cyclohex-3-en-1-aminium

Chemical Property of 6-(Ethoxycarbonyl)cyclohex-3-en-1-aminium

Chemical Property:

• Vapor Pressure: 0.0533mmHg at 25°C
• Melting Point: 107-109 °C
• Refractive Index: 1.5790 (estimate)
• Boiling Point: 234.3°Cat760mmHg
• Flash Point: 100.7°C
• PSA: 52.32000
• Density: g/cm³
• LogP: 2.34530
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 170.118103753
• Heavy Atom Count: 12
• Complexity: 189

Purity/Quality:

99% ^*data from raw suppliers

ETHYL TRANS-2-AMINO-4-CYCLOHEXENE-1-CARBOXYLATE HYDROCHLORIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36
• Safety Statements: 24/25-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1CC=CCC1[NH3+]
• Isomeric SMILES: CCOC(=O)[C@@H]1CC=CC[C@H]1[NH3+]

Technology Process of 6-(Ethoxycarbonyl)cyclohex-3-en-1-aminium

There total 1 articles about 6-(Ethoxycarbonyl)cyclohex-3-en-1-aminium 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: 84.0%

ethanol (64-17-5) + 8-oxo-7-azabicyclo<4.2.0>oct-2-ene (20205-48-5,77003-43-1,77131-40-9,98856-65-6) → ethyl cis-2-amino-4-cyclohexene-1-carboxylate hydrochloride (57266-61-2,142547-16-8)

Guidance literature:

With hydrogenchloride; at 0 ℃; for 0.5h;

DOI:10.1016/j.tet.2008.03.068

Reference yield: 86.0%

benzyl chloroformate (501-53-1,94274-21-2) + ethyl cis-2-amino-4-cyclohexene-1-carboxylate hydrochloride (57266-61-2,142547-16-8) → ethyl cis-2-(benzyloxycarbonylamino)-4-cyclohexenecarboxylate

Guidance literature:

With triethylamine; In tetrahydrofuran; at 0 - 20 ℃;

DOI:10.1016/j.tet.2008.03.068

Reference yield: 61.0%

di-tert-butyl dicarbonate (24424-99-5) + ethyl cis-2-amino-4-cyclohexene-1-carboxylate hydrochloride (57266-61-2,142547-16-8) → ethyl cis-2-(tert-butoxycarbonylamino)-4-cyclohexanecarboxylate

Guidance literature:

With sodium hydroxide; In toluene; for 1h;

DOI:10.1002/ejoc.200500062

upstream raw materials:

ethanol

8-oxo-7-azabicyclo<4.2.0>oct-2-ene

Downstream raw materials:

(r-1,c-2,c-4)-2-amino-4-hydroxycyclohexanecarboxylic acid