4-Cyclobutylbenzoic acid

Base Information

Chemical Name:4-Cyclobutylbenzoic acid
CAS No.:3158-70-1
Molecular Formula:C11H12 O2
Molecular Weight:176.2118
Hs Code.:
NSC Number:126988
DSSTox Substance ID:DTXSID20298927
Wikidata:Q82041046
Mol file:3158-70-1.mol

Synonyms:4-cyclobutylbenzoic acid;3158-70-1;NSC126988;4-cyclobutylbenzoicacid;SCHEMBL13266972;DTXSID20298927;MFCD19440000;AKOS023570782;NSC-126988;CS-0136653;EN300-176558;F2147-8308;Z1251414965

Suppliers and Price of 4-Cyclobutylbenzoic 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

TRC
4-Cyclobutylbenzoicacid
10mg
$ 65.00

Crysdot
4-Cyclobutylbenzoicacid 95+%
1g
$ 885.00

Chemenu
4-Cyclobutylbenzoicacid 95%
1g
$ 835.00

AOBChem
4-Cyclobutylbenzoic acid 96%
10g
$ 3360.00

AOBChem
4-Cyclobutylbenzoicacid 95%
1g
$ 553.00

AOBChem
4-Cyclobutylbenzoic acid 96%
500mg
$ 395.00

AOBChem
4-Cyclobutylbenzoic acid 96%
5g
$ 1976.00

Alichem
4-Cyclobutylbenzoicacid
5g
$ 1946.28

Alichem
4-Cyclobutylbenzoicacid
250mg
$ 267.65

Alichem
4-Cyclobutylbenzoicacid
1g
$ 668.62

Total 7 raw suppliers

Chemical Property of 4-Cyclobutylbenzoic acid

Chemical Property:

Vapor Pressure:0.00013mmHg at 25°C
Melting Point:118-119 °C
Boiling Point:320.7°C at 760 mmHg
PKA:4.34±0.10(Predicted)
Flash Point:147.9°C
PSA：37.30000
Density:1.193g/cm³
LogP:2.65230
XLogP3:3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:176.083729621
Heavy Atom Count:13
Complexity:188

Purity/Quality:

97% ^*data from raw suppliers

4-Cyclobutylbenzoicacid ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1CC(C1)C2=CC=C(C=C2)C(=O)O

Technology Process of 4-Cyclobutylbenzoic acid

There total 8 articles about 4-Cyclobutylbenzoic 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:

: 935-64-8
1-phenyl-1-cyclobutanol

: 3158-70-1
4-cyclobutylbenzoic acid

Guidance literature:: Multi-step reaction with 2 steps

1: H₂ / Pd-C / ethanol

2: (i) Br₂, Fe, (ii) /BRN= 3587244/, DMF, (iii) aq. KOH, ethane-1,2-diol

With hydrogen; palladium on activated charcoal; In ethanol;
DOI:10.1021/ja01015a021

Reference yield:

: phenylmagnesium bromide

: 3158-70-1
4-cyclobutylbenzoic acid

Guidance literature:: Multi-step reaction with 3 steps

1: diethyl ether

2: H₂ / Pd-C / ethanol

3: (i) Br₂, Fe, (ii) /BRN= 3587244/, DMF, (iii) aq. KOH, ethane-1,2-diol

With hydrogen; palladium on activated charcoal; In diethyl ether; ethanol;
DOI:10.1021/ja01015a021