2-fluoro-4-(hydroxymethyl)benzoic Acid

Base Information

Chemical Name:2-fluoro-4-(hydroxymethyl)benzoic Acid
CAS No.:214554-18-4
Molecular Formula:C8H7 F O3
Molecular Weight:170.14
Hs Code.:2918199090
European Community (EC) Number:630-166-5
DSSTox Substance ID:DTXSID60430743
Nikkaji Number:J1.800.038E
Wikidata:Q82244438
Mol file:214554-18-4.mol

Synonyms:2-fluoro-4-(hydroxymethyl)benzoic Acid;214554-18-4;SCHEMBL542783;DTXSID60430743;MFCD08741375;2-fluoro-4-(hydroxymethyl)benzoicAcid;AKOS005067698;PS-6478;CS-0097075;2-Fluoro-4-(hydroxymethyl)benzoic acid, 97%;EN300-342112;Y13791;A815392;W-206630;Z1255383867

Suppliers and Price of 2-fluoro-4-(hydroxymethyl)benzoic 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
2-Fluoro-4-(hydroxymethyl)benzoic acid
100mg
$ 70.00

SynQuest Laboratories
2-Fluoro-4-(hydroxymethyl)benzoic acid
5 g
$ 480.00

SynQuest Laboratories
2-Fluoro-4-(hydroxymethyl)benzoic acid
1 g
$ 135.00

SynQuest Laboratories
2-Fluoro-4-(hydroxymethyl)benzoic acid
250 mg
$ 42.00

Sigma-Aldrich
2-Fluoro-4-(hydroxymethyl)benzoic acid 97%
250mg
$ 51.70

Sigma-Aldrich
2-Fluoro-4-(hydroxymethyl)benzoic acid 97%
1g
$ 174.00

Crysdot
2-Fluoro-4-(hydroxymethyl)benzoic acid 95+%
5g
$ 838.00

BLDpharm
2-Fluoro-4-(hydroxymethyl)benzoic acid 98%
1g
$ 195.00

BLDpharm
2-Fluoro-4-(hydroxymethyl)benzoic acid 98%
250mg
$ 59.00

Apolloscientific
2-Fluoro-4-(hydroxymethyl)benzoic acid 98%
250mg
$ 61.00

Total 13 raw suppliers

Chemical Property of 2-fluoro-4-(hydroxymethyl)benzoic Acid

Chemical Property:

Vapor Pressure:0mmHg at 25°C
Melting Point:170-175°C
Refractive Index:1.575
Boiling Point:332.4°Cat760mmHg
Flash Point:154.8°C
PSA：57.53000
Density:1.417g/cm³
LogP:1.01620
XLogP3:1.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:170.03792224
Heavy Atom Count:12
Complexity:172

Purity/Quality:

97% ^*data from raw suppliers

2-Fluoro-4-(hydroxymethyl)benzoic acid ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xn
Hazard Codes:Xn
Statements: 22-36/37/38
Safety Statements: 26-36/37

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Canonical SMILES:C1=CC(=C(C=C1CO)F)C(=O)O
Uses 2-Fluoro-4-(hydroxymethyl)benzoic Acid is a reagent used as a fluorinated linker in the preparation of pilicide libraries.

Technology Process of 2-fluoro-4-(hydroxymethyl)benzoic Acid

There total 4 articles about 2-fluoro-4-(hydroxymethyl)benzoic 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: 47.0%

: 124-38-9,18923-20-1
carbon dioxide

: 456-47-3
3-fluoro-benzenemethanol

: 214554-18-4
2-fluoro-4-(hydroxymethyl)benzoic acid

Guidance literature:: 3-fluoro-benzenemethanol; With N,N,N',N'',N'''-pentamethyldiethylenetriamine; potassium tert-butylate; sec.-butyllithium; In tetrahydrofuran; cyclohexane; at -75 ℃; for 2h;

carbon dioxide; In tetrahydrofuran; cyclohexane; Further stages.;
DOI:10.1002/1099-0690(200208)2002:15<2508::AID-EJOC2508>3.0.CO;2-C

Reference yield: 15.0%

: 124-38-9,18923-20-1
carbon dioxide

: 481075-27-8
1-fluoro-3-[(methoxymethoxy)methyl]benzene

: 214554-18-4
2-fluoro-4-(hydroxymethyl)benzoic acid

Guidance literature:: 1-fluoro-3-[(methoxymethoxy)methyl]benzene; With N,N,N',N'',N'''-pentamethyldiethylenetriamine; sec.-butyllithium; In tetrahydrofuran; cyclohexane; at -75 ℃; for 2h;

carbon dioxide; In tetrahydrofuran; cyclohexane; Further stages.;
DOI:10.1002/1099-0690(200208)2002:15<2508::AID-EJOC2508>3.0.CO;2-C

Reference yield:

: 456-47-3
3-fluoro-benzenemethanol

: 214554-18-4
2-fluoro-4-(hydroxymethyl)benzoic acid

Guidance literature:: Multi-step reaction with 2 steps

1.1: 71 percent / N-ethyldiisopropylamine / CH₂Cl₂ / 2 h / 25 °C

2.1: sec-butyllithium; N,N,N',N",N"-pentamethyldiethylenetriamine / tetrahydrofuran; cyclohexane / 2 h / -75 °C

2.2: 15 percent / tetrahydrofuran; cyclohexane

With N,N,N',N'',N'''-pentamethyldiethylenetriamine; sec.-butyllithium; N-ethyl-N,N-diisopropylamine; In tetrahydrofuran; dichloromethane; cyclohexane;
DOI:10.1002/1099-0690(200208)2002:15<2508::AID-EJOC2508>3.0.CO;2-C