1-Bromocyclobutanecarboxylic acid

Base Information

• Chemical Name: 1-Bromocyclobutanecarboxylic acid
• CAS No.: 32122-23-9
• Molecular Formula: C5H7 Br O2
• Molecular Weight: 179.013
• Hs Code.: 2916209090
• European Community (EC) Number: 837-467-2
• NSC Number: 179441
• DSSTox Substance ID: DTXSID10306727
• Wikidata: Q72453877
• Mol file: 32122-23-9.mol

Synonyms:1-Bromocyclobutanecarboxylic acid;32122-23-9;1-bromocyclobutane-1-carboxylic acid;MFCD08861855;NSC179441;1-Bromocyclobutanecarboxylicacid;SCHEMBL1159185;DTXSID10306727;AMY40623;CL4587;AKOS022172452;NSC 179441;NSC-179441;AS-45982;SY129843;CS-0040826;FT-0704446;EN300-102949;Z220564362

Chemical Property of 1-Bromocyclobutanecarboxylic acid

Chemical Property:

• Vapor Pressure: 0.00748mmHg at 25°C
• Melting Point: 48℃
• Boiling Point: 249°Cat760mmHg
• PKA: 2.94±0.20(Predicted)
• Flash Point: 104.4°C
• PSA: 37.30000
• Density: 1.864g/cm³
• LogP: 1.38860
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 177.96294
• Heavy Atom Count: 8
• Complexity: 118

Purity/Quality:

99% ^*data from raw suppliers

1-bromocyclobutane-1-carboxylicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(C1)(C(=O)O)Br

Technology Process of 1-Bromocyclobutanecarboxylic acid

There total 4 articles about 1-Bromocyclobutanecarboxylic 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: 55.0%

Cyclobutanecarboxylic acid (3721-95-7) → α-bromocyclobutanecarboxylic acid (32122-23-9)

Guidance literature:

With bromine; at 90 ℃; for 3h;

DOI:10.1016/0040-4039(95)02272-4

Reference yield: 33.4%

methyl α-bromocyclobutanecarboxylate (51175-79-2) → α-bromocyclobutanecarboxylic acid (32122-23-9)

Guidance literature:

With tert-butyl methyl ether; potassium tert-butylate; In water; at 5 ℃; for 3h;

Reference yield:

ethyl 1-bromocyclobutane-1-carboxylate (35120-18-4) → α-bromocyclobutanecarboxylic acid (32122-23-9)

Guidance literature:

With sodium hydroxide; for 0.75h;

DOI:10.1016/j.bmc.2007.08.001

upstream raw materials:

Cyclobutanecarboxylic acid

ethyl 1-bromocyclobutane-1-carboxylate

methyl α-bromocyclobutanecarboxylate

3,4,5,6-tetrahydro-2H-pyran-2-one

Downstream raw materials:

ARN-509

1-bromo-N-phenylcyclobutane-1-carboxamide

1-hydroxycyclobutane-1-carboxylic acid

1-cyclobutenecarboxylic acid

Refernces

• 1、 -. "2-(1-bromocyclobutyl) pyridine and synthesis method thereof". Paragraph 0008; 0029; 0034-0035; 0048; 0053-0054; 0067. . Retrieved 2020/11/23.
• 2、 -. "MONOBACTAMS". Page/Page column 124-125. . Retrieved 2012/06/16.