Ethyl bicyclo[4.1.0]heptane-7-carboxylate

Base Information

• Chemical Name: Ethyl bicyclo[4.1.0]heptane-7-carboxylate
• CAS No.: 52917-64-3
• Molecular Formula: C10H16O2
• Molecular Weight: 168.236
• NSC Number: 115513
• DSSTox Substance ID: DTXSID00297317
• Nikkaji Number: J794.022J
• Mol file: 52917-64-3.mol

Synonyms:ethyl bicyclo[4.1.0]heptane-7-carboxylate;52917-64-3;NSC115513;bicyclo[4.1.0]heptane-7-carboxylic acid ethyl ester;SCHEMBL5791356;DTXSID00297317;AKOS018444468;NSC-115513;EN300-318578

Chemical Property of Ethyl bicyclo[4.1.0]heptane-7-carboxylate

Chemical Property:

• Vapor Pressure: 0.129mmHg at 25°C
• Boiling Point: 218°Cat760mmHg
• Flash Point: 80.7°C
• Density: 1.055g/cm³
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 168.115029749
• Heavy Atom Count: 12
• Complexity: 176

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1C2C1CCCC2

Technology Process of Ethyl bicyclo[4.1.0]heptane-7-carboxylate

There total 8 articles about Ethyl bicyclo[4.1.0]heptane-7-carboxylate 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: 88.0%

diazoacetic acid ethyl ester (623-73-4) + cyclohexene (110-83-8) → ethyl 7-norcaranecarboxylate (52917-64-3) + diethyl Fumarate (623-91-6) + Diethyl maleate (141-05-9)

Guidance literature:

hexarhodium hexadecacarbonyl; at 25 ℃; for 7h;

DOI:10.1016/S0040-4039(01)90438-1

Reference yield:

diazoacetic acid ethyl ester (623-73-4) + cyclohexene (110-83-8) → ethyl exo-7-bicyclo<4.1.0>heptanecarboxylate (4729-31-1,52917-64-3,4729-30-0) + 7-endo-ethoxycarbonylbicyclo[4.1.0]heptane (4729-30-0,52917-64-3,4729-31-1) + diethyl Fumarate (623-91-6) + Diethyl maleate (141-05-9)

Guidance literature:

1,4,7,10,17,20,23,26-octaoxa-16,32-(1,10-phenantholin-2,9-diyl)-<10.10>metacyclophane; copper(I) triflate; In dichloromethane; 1,2-dichloro-ethane; at 20 ℃; for 24h; Yield given. Yields of byproduct given;

DOI:10.1002/cber.19971300215

Reference yield:

diazoacetic acid ethyl ester (623-73-4) + cyclohexene (110-83-8) → ethyl exo-7-bicyclo<4.1.0>heptanecarboxylate (4729-31-1,52917-64-3,4729-30-0) + 7-endo-ethoxycarbonylbicyclo[4.1.0]heptane (4729-30-0,52917-64-3,4729-31-1) + diethyl Fumarate (623-91-6) + Diethyl maleate (141-05-9)

Guidance literature:

1,4,7,10,17,20,23,26-octaoxa-16,32-(1,10-phenantholin-2,9-diyl)-<10.10>metacyclophane; copper(I) triflate; In dichloromethane; 1,2-dichloro-ethane; at 20 ℃; for 24h; Yield given. Yields of byproduct given;

DOI:10.1002/cber.19971300215

upstream raw materials:

diazoacetic acid ethyl ester

cyclohexene

2,3-Dichloro-1,4-naphthoquinone

Downstream raw materials:

(1α,6α,7α)-bicyclo[4.1.0]heptane-7-carboxylic acid

exo-Bicyclo<4.1.0>heptane-7-methanol

exo-7-acetylbicyclo<4.1.0>heptane

((1R,2R)-2-Iodo-cyclohexyl)-acetic acid ethyl ester

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