1-Acetamido-2-(4-fluorophenyl)ethane-1-boronic acid

Base Information

Chemical Name:1-Acetamido-2-(4-fluorophenyl)ethane-1-boronic acid
CAS No.:149982-17-2
Molecular Formula:C10H13 B F N O3
Molecular Weight:225.02
Hs Code.:
DSSTox Substance ID:DTXSID20933826
Nikkaji Number:J677.469E
Wikidata:Q82909659
Mol file:149982-17-2.mol

Synonyms:(R)-1-acetamido-2-(4-fluorophenyl)ethane-1-boronic acid;1-acetamido-2-(4-fluorophenyl)ethane-1-boronic acid;1-AFEBA

Suppliers and Price of 1-Acetamido-2-(4-fluorophenyl)ethane-1-boronic 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

Total 3 raw suppliers

Chemical Property of 1-Acetamido-2-(4-fluorophenyl)ethane-1-boronic acid

Chemical Property:

Boiling Point:°Cat760mmHg
PKA:9.58±0.43(Predicted)
Flash Point:°C
PSA：69.56000
Density:1.231g/cm³
LogP:0.69570
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:225.0972516
Heavy Atom Count:16
Complexity:232

Purity/Quality:: 99%+ ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:B(C(CC1=CC=C(C=C1)F)NC(=O)C)(O)O
Isomeric SMILES:B([C@H](CC1=CC=C(C=C1)F)NC(=O)C)(O)O

Technology Process of 1-Acetamido-2-(4-fluorophenyl)ethane-1-boronic acid

There total 1 articles about 1-Acetamido-2-(4-fluorophenyl)ethane-1-boronic 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: 66.0%

: (-)-pinanediol [(1S)-1-acetamido-2-(4-fluorophenyl)ethyl]boronate

: 149982-17-2
[(1S)-1-acetamido-2-(1-fluorophenyl)ethyl]boronic acid

Guidance literature:: With boron trichloride; In dichloromethane; (N2); stirring (-78°C, 1 h); vac. evapn., layer sepn., washing (Et2O); HRMS;
DOI:10.1021/ja952816j

Reference yield: 62.0%

: 149982-17-2
[(1S)-1-acetamido-2-(1-fluorophenyl)ethyl]boronic acid

: 111-42-2
2,2'-iminobis[ethanol]

: 173860-38-3
diethanolamine [(1S)-1-acetamido-2-(4-fluorophenyl)ethyl]boronate

Guidance literature:: In isopropyl alcohol; (N2); stirring (20°C, 1h), rot. evapn., MgSO4 and charcoal addn.,stirring (10 h); filtn., vac. concn., pptn. (CH2Cl2, Et2O); HRMS;
DOI:10.1021/ja952816j