7-Azabicyclo[4.1.0]heptane-7-carboxylic acid ethyl ester

Base Information

• Chemical Name: 7-Azabicyclo[4.1.0]heptane-7-carboxylic acid ethyl ester
• CAS No.: 1541-27-1
• Molecular Formula: C9H15 N O2
• Molecular Weight: 169.224
• NSC Number: 89672
• DSSTox Substance ID: DTXSID40293454

Synonyms:1541-27-1;NSC89672;NSC 89672;NCIOpen2_001337;SCHEMBL3843370;7-azabicyclo[4.1.0]heptane-7-carboxylic acid ethyl ester;DTXSID40293454;NSC-89672;AKOS015907240;7-carboethoxy-7-azabicyclo[4.1.0]heptane

Chemical Property of 7-Azabicyclo[4.1.0]heptane-7-carboxylic acid ethyl ester

Chemical Property:

• Vapor Pressure: 0.0424mmHg at 25°C
• Boiling Point: 238.4°Cat760mmHg
• Flash Point: 98°C
• Density: 1.125g/cm³
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 169.110278721
• Heavy Atom Count: 12
• Complexity: 181

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)N1C2C1CCCC2

Technology Process of 7-Azabicyclo[4.1.0]heptane-7-carboxylic acid ethyl ester

There total 6 articles about 7-Azabicyclo[4.1.0]heptane-7-carboxylic acid ethyl ester 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: 42.0%

N,O-bistrimethylsilyl-N-(ethoxycarbonyl)hydroxylamine (66121-61-7) + cyclohexene (110-83-8) → 7-(ethoxycarbonyl)-7-azabicyclo<4.1.0>heptane (1541-27-1) + urethane (51-79-6)

Guidance literature:

at 90 ℃; for 72h;

DOI:10.1021/jo00315a024

Reference yield: 14.0%

N-fluorourethan (3880-06-6) + acetonitrile (75-05-8,26809-02-9) + cyclohexene (110-83-8) → 2-ethoxy-5-methyl-1,3,4-oxadiazole (1122-78-7) + 7-(ethoxycarbonyl)-7-azabicyclo<4.1.0>heptane (1541-27-1) + diethyl hydrazodicarboxylate (4114-28-7) + 3-<(ethoxycarbonyl)amino>cyclohexene (1541-28-2)

Guidance literature:

With TEA; for 1.5h; Product distribution; Ambient temperature; other reactant, reagent, reaction time,;

Reference yield: 6.0%

ethyl N-<<(4-methylphenyl)sulphonyl>oxy>carbamate (54145-10-7) + cyclohexene (110-83-8) → 7-(ethoxycarbonyl)-7-azabicyclo<4.1.0>heptane (1541-27-1) + 3-<(ethoxycarbonyl)amino>cyclohexene (1541-28-2)

Guidance literature:

With caesium carbonate; In dichloromethane; for 7h; Ambient temperature;

DOI:10.1016/S0040-4020(01)89425-4

upstream raw materials:

ethyl N-{[(4-nitrobenzene)sulfonyl]oxy}carbamate

cyclohexene

N-fluorourethan

acetonitrile

Downstream raw materials:

2-ethoxycarbonylaminocyclohexanone

ethyl <2-(phenyltelluro)cyclohexyl>carbamate

d.l-trans-2-Aethoxycarbonylamino-cyclohexanol-⁽¹⁾

trans N-(2-fluorocyclohexyl)urethan

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