Unii-8rop77VW1I

Base Information

Chemical Name:Unii-8rop77VW1I
CAS No.:130780-36-8
Molecular Formula:C₁₀H₁₂FNO₂
Molecular Weight:197.209
Hs Code.:
UNII:8ROP77VW1I
Wikidata:Q76423906

Synonyms:UNII-8ROP77VW1I;130780-36-8;8ROP77VW1I;alpha-Methyl-L-2-fluorophenylalanine;1336086-97-5;alpha-methyl-L-2-Fluorophe;2-Fluoro-alpha-methyl-L-phenylalanine;(2S)-2-amino-3-(2-fluorophenyl)-2-methylpropanoic acid;L-Phenylalanine, 2-fluoro-alpha-methyl-;SCHEMBL427855;MFCD14584398;F90117;2-FLUORO-.ALPHA.-METHYL-L-PHENYLALANINE;L-PHENYLALANINE, 2-FLUORO-.ALPHA.-METHYL-;(S)-2-Amino-3-(2-fluorophenyl)-2-methylpropanoic acid;(2~{S})-2-azanyl-3-(2-fluorophenyl)-2-methyl-propanoic acid

Suppliers and Price of Unii-8rop77VW1I

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 4 raw suppliers

Chemical Property of Unii-8rop77VW1I

Chemical Property:

Melting Point:289-292 °C
Boiling Point:313.6±32.0 °C(Predicted)
Density:1.249±0.06 g/cm3(Predicted)
XLogP3:-1.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:197.08520679
Heavy Atom Count:14
Complexity:222

Purity/Quality:: 95% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(CC1=CC=CC=C1F)(C(=O)O)N
Isomeric SMILES:C[C@](CC1=CC=CC=C1F)(C(=O)O)N

Technology Process of Unii-8rop77VW1I

There total 4 articles about Unii-8rop77VW1I 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: 91.0%

: C₃₅H₃₂FN₃O₃^(2-)*Ni⁽²⁺⁾

: 130780-36-8
(S)-α-methyl(2-fluorophenyl)alanine

Guidance literature:: With hydrogenchloride; In methanol; for 0.166667h; Heating;
DOI:10.1055/s-1993-25812

Reference yield:

: 446-48-0
o-fluorobenzyl bromide

: Ni(II)-(S)-2-CBPB-Ala

: 130780-36-8
(S)-α-methyl(2-fluorophenyl)alanine

Guidance literature:: o-fluorobenzyl bromide; Ni(II)-(S)-2-CBPB-Ala; With sodium hydroxide; In N,N-dimethyl-formamide; at 20 - 25 ℃;

With hydrogenchloride; water; In methanol; at 50 ℃; stereoselective reaction;
DOI:10.1080/00397911003587531

Reference yield:

: 446-48-0
o-fluorobenzyl bromide

: Ni(II)-(S)-3,4-DMBPB-Ala

: 130780-36-8
(S)-α-methyl(2-fluorophenyl)alanine

Guidance literature:: o-fluorobenzyl bromide; Ni(II)-(S)-3,4-DMBPB-Ala; With sodium hydroxide; In N,N-dimethyl-formamide; at 20 - 25 ℃;

With hydrogenchloride; water; In methanol; at 50 ℃; stereoselective reaction;
DOI:10.1080/00397911003587531