Bicyclo[3.1.0]hexane-3-carboxylic acid

Base Information

• Chemical Name: Bicyclo[3.1.0]hexane-3-carboxylic acid
• CAS No.: 13388-51-7
• Molecular Formula: C7H10 O2
• Molecular Weight: 126.1531
• Hs Code.: 2916209090
• European Community (EC) Number: 845-761-7
• NSC Number: 119001
• DSSTox Substance ID: DTXSID00297897
• Mol file: 13388-51-7.mol

Synonyms:bicyclo[3.1.0]hexane-3-carboxylic acid;13388-51-7;Bicyclo[3.1.0]hexane-3-carboxylicacid;NSC119001;SCHEMBL1423806;DTXSID00297897;AMY34042;BAA77745;MFCD15526996;AKOS006377463;NSC-119001;PB25532;SB13251;AS-34204;CS-0046676;EN300-106634;A888001

Chemical Property of Bicyclo[3.1.0]hexane-3-carboxylic acid

Chemical Property:

• Vapor Pressure: 0.0242mmHg at 25°C
• Boiling Point: 229.8°C at 760 mmHg
• Flash Point: 103.7°C
• PSA: 37.30000
• Density: 1.264g/cm³
• LogP: 1.11710
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 126.068079557
• Heavy Atom Count: 9
• Complexity: 143

Purity/Quality:

97% ^*data from raw suppliers

Bicyclo[3.1.0]hexane-3-carboxylicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C2C1CC(C2)C(=O)O

Technology Process of Bicyclo[3.1.0]hexane-3-carboxylic acid

There total 4 articles about Bicyclo[3.1.0]hexane-3-carboxylic acid 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:

tricyclo[2.2.1.02,6]heptan-3-one (695-05-6) → bicyclo[3.1.0]hexane-3-carboxylic acid (13388-51-7)

Guidance literature:

With potassium tert-butylate; In diethyl ether; at 0 ℃; for 6h;

Reference yield:

3-Acetoxynortricyclen (6555-48-2,127127-98-4,127127-99-5) → bicyclo[3.1.0]hexane-3-carboxylic acid (13388-51-7)

Guidance literature:

Multi-step reaction with 3 steps

1: methanol; sodium / 6 h / 80 °C

2: sulfuric acid; chromium(VI) oxide / water / 6 h / 0 °C

3: potassium tert-butylate / diethyl ether / 6 h / 0 °C

With chromium(VI) oxide; methanol; sulfuric acid; potassium tert-butylate; sodium; In diethyl ether; water;

Reference yield:

3-nortricyclanol (695-04-5) → bicyclo[3.1.0]hexane-3-carboxylic acid (13388-51-7)

Guidance literature:

Multi-step reaction with 2 steps

1: sulfuric acid; chromium(VI) oxide / water / 6 h / 0 °C

2: potassium tert-butylate / diethyl ether / 6 h / 0 °C

With chromium(VI) oxide; sulfuric acid; potassium tert-butylate; In diethyl ether; water;

upstream raw materials:

3-Acetoxynortricyclen

3-nortricyclanol

tricyclo[2.2.1.0^2,6]heptan-3-one

Downstream raw materials:

cis-(2-bicyclo[3.1.0]hexan-3-yl)-3-(4-chlorophenyl)-6-methylpyrimidin-4(3H)-one

cis-2-(bicyclo[3.1.0]hexan-3-yl)-1-(4-chlorophenyl)-9-methyl-1H-purin-6(9H)-one