3-Acetylbicyclo[1.1.1]pentane-1-carboxylic acid

Base Information

Chemical Name:3-Acetylbicyclo[1.1.1]pentane-1-carboxylic acid
CAS No.:156329-75-8
Molecular Formula:C₈H₁₀O₃
Molecular Weight:154.166
Hs Code.:2918999090
DSSTox Substance ID:DTXSID20439530
Nikkaji Number:J2.154.149D
Wikidata:Q82255498
Mol file:156329-75-8.mol

Synonyms:3-Acetylbicyclo[1.1.1]pentane-1-carboxylic acid;156329-75-8;Bicyclo[1.1.1]pentane-1-carboxylic acid, 3-acetyl- (9CI);DTXSID20439530;AT20382;PS-20719;3-Acetylbicyclo[1.1.1]pentane-1-carboxylicacid

Suppliers and Price of 3-Acetylbicyclo[1.1.1]pentane-1-carboxylic acid

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

SynQuest Laboratories
3-Acetylbicyclo[1.1.1]pentane-1-carboxylic acid
1 g
$ 3060.00

SynQuest Laboratories
3-Acetylbicyclo[1.1.1]pentane-1-carboxylic acid
250 mg
$ 1128.00

American Custom Chemicals Corporation
3-ACETYLBICYCLO[1.1.1]PENTANE-1-CARBOXYLIC ACID 95.00%
5MG
$ 455.07

Total 3 raw suppliers

Chemical Property of 3-Acetylbicyclo[1.1.1]pentane-1-carboxylic acid

Chemical Property:

Boiling Point:286.8±40.0 °C(Predicted)
PKA:4.53±0.40(Predicted)
PSA：54.37000
Density:1.500±0.06 g/cm3(Predicted)
LogP:0.83030
XLogP3:-0.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:154.062994177
Heavy Atom Count:11
Complexity:234

Purity/Quality:

98% ^*data from raw suppliers

3-Acetylbicyclo[1.1.1]pentane-1-carboxylic acid ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(=O)C12CC(C1)(C2)C(=O)O

Technology Process of 3-Acetylbicyclo[1.1.1]pentane-1-carboxylic acid

There total 2 articles about 3-Acetylbicyclo[1.1.1]pentane-1-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: 95.0%

: 131515-42-9
methyl 3-acetylbicyclo<1.1.1>pentane-1-carboxylate

: 156329-75-8
3-acetylbicyclo<1.1.1>pentane-1-carboxylic acid

Guidance literature:: With sodium hydroxide; for 0.5h;
DOI:10.1021/jo00090a015

Reference yield:

: 156329-69-0
2-thioxo-1,2-dihydropyridin-1-yl 3-(methoxycarbonyl)bicyclo<1.1.1>pentane-1-carboxylate

: 156329-75-8
3-acetylbicyclo<1.1.1>pentane-1-carboxylic acid

Guidance literature:: Multi-step reaction with 2 steps

1: CH₂Cl₂ / 0.5 h / Irradiation

2: 95 percent / aq. NaOH / 0.5 h

With sodium hydroxide; In dichloromethane;
DOI:10.1021/jo00090a015