3-[(Acetylamino)methyl]-2,6-difluorobenzenepropanoic acid

Base Information

Chemical Name:3-[(Acetylamino)methyl]-2,6-difluorobenzenepropanoic acid
CAS No.:149489-15-6
Molecular Formula:C₁₂H₁₃F₂NO₃
Molecular Weight:257.237
Hs Code.:
DSSTox Substance ID:DTXSID301198827

Synonyms:DTXSID301198827;3-[(Acetylamino)methyl]-2,6-difluorobenzenepropanoic acid;149489-15-6

Suppliers and Price of 3-[(Acetylamino)methyl]-2,6-difluorobenzenepropanoic acid

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

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Chemical Property of 3-[(Acetylamino)methyl]-2,6-difluorobenzenepropanoic acid

Chemical Property:

XLogP3:1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:257.08634960
Heavy Atom Count:18
Complexity:312

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC(=O)NCC1=C(C(=C(C=C1)F)CCC(=O)O)F

Technology Process of 3-[(Acetylamino)methyl]-2,6-difluorobenzenepropanoic acid

There total 3 articles about 3-[(Acetylamino)methyl]-2,6-difluorobenzenepropanoic 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:

: 3939-09-1,103496-86-2
2,4-difluorobenzonitrile

: 149489-15-6
3-[3-(Acetylamino-methyl)-2,6-difluoro-phenyl]-propionic acid

Guidance literature:: Multi-step reaction with 4 steps

1: 1.) LDA / 1.) THF, -75 deg C, 15 min, 2.) THF

2: toluene / 0.67 h / 35 °C

3: H₂ / 5percent Pd/C / methanol; acetic acid / 1 h / 51.7 Torr

4: 1.) 50 deg C, 20 min, 2.) H₂O, 60 deg C, 20 min

With hydrogen; lithium diisopropyl amide; palladium on activated charcoal; In methanol; acetic acid; toluene;
DOI:10.1021/jm950639r

Reference yield:

: 149489-14-5
2,4-difluoro-3-formylbenzonitrile

: 149489-15-6
3-[3-(Acetylamino-methyl)-2,6-difluoro-phenyl]-propionic acid

Guidance literature:: Multi-step reaction with 3 steps

1: toluene / 0.67 h / 35 °C

2: H₂ / 5percent Pd/C / methanol; acetic acid / 1 h / 51.7 Torr

3: 1.) 50 deg C, 20 min, 2.) H₂O, 60 deg C, 20 min

With hydrogen; palladium on activated charcoal; In methanol; acetic acid; toluene;
DOI:10.1021/jm950639r

Reference yield:

: 1026014-01-6
(E)-3-(3-Cyano-2,6-difluoro-phenyl)-acrylic acid benzyl ester

: 149489-15-6
3-[3-(Acetylamino-methyl)-2,6-difluoro-phenyl]-propionic acid

Guidance literature:: Multi-step reaction with 2 steps

1: H₂ / 5percent Pd/C / methanol; acetic acid / 1 h / 51.7 Torr

2: 1.) 50 deg C, 20 min, 2.) H₂O, 60 deg C, 20 min

With hydrogen; palladium on activated charcoal; In methanol; acetic acid;
DOI:10.1021/jm950639r