Bicyclo[3.1.0]hexane-6-carboxylic acid

Base Information

• Chemical Name: Bicyclo[3.1.0]hexane-6-carboxylic acid
• CAS No.: 16650-37-6
• Molecular Formula: C7H10 O2
• Molecular Weight: 126.155
• Hs Code.: 2916209090
• European Community (EC) Number: 850-660-6
• NSC Number: 131607
• DSSTox Substance ID: DTXSID20937208
• Mol file: 16650-37-6.mol

Synonyms:exo-bicyclo(3.1.0)hexane-6-carboxylic acid

Chemical Property of Bicyclo[3.1.0]hexane-6-carboxylic acid

Chemical Property:

• Vapor Pressure: 0.0242mmHg at 25°C
• Melting Point: 60 °C(Solv: hexane (110-54-3))
• Boiling Point: 229.8°Cat760mmHg
• PKA: 4.82±0.20(Predicted)
• Flash Point: 103.7°C
• PSA: 37.30000
• Density: 1.264g/cm³
• LogP: 1.11710
• XLogP3: 1.4
• 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-6-carboxylicAcid(endo/exoMixture) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC2C(C1)C2C(=O)O
• Uses: Bicyclo[3.1.0]hexane-6-carboxylic Acid, can be used in the synthesis of cyclopropane-containing compounds, which are shown to be latent irreversible inhibitors of lactate dehydrogenase and alcohol dehydrogenase.

Technology Process of Bicyclo[3.1.0]hexane-6-carboxylic acid

There total 4 articles about Bicyclo[3.1.0]hexane-6-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:

ethyl bicyclo<3.1.0>hexane-6-carboxylate (72229-06-2) → bicyclo[3.1.0]hexane-6-carboxylic acid (16650-37-6) + 1α,5α,6α-bicyclo[3.1.0]hexane-6-carboxylic acid (4971-24-8)

Guidance literature:

With methanol; sodium hydroxide; In water; at 20 ℃; for 18h; Overall yield = 91 %; Overall yield = 3.51 g; diastereoselective reaction;

DOI:10.1021/ja511335v

Reference yield:

cyclopentene (142-29-0) → bicyclo[3.1.0]hexane-6-carboxylic acid (16650-37-6) + 1α,5α,6α-bicyclo[3.1.0]hexane-6-carboxylic acid (4971-24-8)

Guidance literature:

Multi-step reaction with 2 steps

1: dirhodium tetraacetate / diethyl ether / 5 h / Inert atmosphere

2: methanol; sodium hydroxide / water / 18 h / 20 °C

With methanol; dirhodium tetraacetate; sodium hydroxide; In diethyl ether; water;

DOI:10.1021/ja511335v

Reference yield:

1-bicyclo[3.1.0]hex-6-yl-ethanone (13555-18-5) → bicyclo[3.1.0]hexane-6-carboxylic acid (16650-37-6)

Guidance literature:

With sodium hypobromide;

upstream raw materials:

1-bicyclo[3.1.0]hex-6-yl-ethanone

cyclopentene

ethyl bicyclo<3.1.0>hexane-6-carboxylate

Post a RFQ

Cas No.:

Product Name:

Quantity:

Please select Metric Ton KG G Pound L ML

Email:

Company name:

Valid Period:

Detailed Requirements:

• Sample
• MOQ
• GMP
• FDA
• Price
  FOB CIF CFR EXW
• Urgent purchase

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

Remove

Submit

1

What can I do for you?
Get Best Price

Get Best Price for 16650-37-6 BICYCLO[3.1.0]HEXANE-6-CARBOXYLIC ACID

Send

Send

Metric Ton KG G Pound L ML

Send

Send