Acetyl-D-Homophenylalanine

Base Information

Chemical Name:Acetyl-D-Homophenylalanine
CAS No.:63393-59-9
Molecular Formula:C₁₂H₁₅NO₃
Molecular Weight:221.256
Hs Code.:2924299090
DSSTox Substance ID:DTXSID00384357
Nikkaji Number:J57.531C
Wikidata:Q82176447
Mol file:63393-59-9.mol

Synonyms:Acetyl-D-Homophenylalanine;63393-59-9;(R)-2-Acetamido-4-phenylbutanoic acid;(2R)-2-acetamido-4-phenylbutanoic acid;(2R)-2-(acetylamino)-4-phenylbutanoic acid;RDM;Oprea1_802941;SCHEMBL468907;DTXSID00384357;CCG-42367;MFCD00190716;AKOS016008597;AM83536;(R)-4-Phenyl-2-(acetylamino)butyric acid;CS-0326766;EN300-7390056;SR-01000632372-1

Suppliers and Price of Acetyl-D-Homophenylalanine

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

Usbiological
Acetyl-D-homophenylalanine
1g
$ 346.00

TRC
Acetyl-d-homophenylalanine
1g
$ 155.00

TRC
Acetyl-d-homophenylalanine
250mg
$ 70.00

Crysdot
(R)-2-Acetamido-4-phenylbutanoicacid 95+%
25g
$ 801.00

Crysdot
(R)-2-Acetamido-4-phenylbutanoicacid 95+%
10g
$ 365.00

Chem-Impex
Acetyl-D-homophenylalanine ≥ 99% (HPLC)
1G
$ 51.80

Chem-Impex
Acetyl-D-homophenylalanine ≥ 99% (HPLC)
5G
$ 155.00

Chemenu
(R)-2-acetamido-4-phenylbutanoicacid 95%
10g
$ 345.00

Chemenu
(R)-2-acetamido-4-phenylbutanoicacid 95%
25g
$ 756.00

Biosynth Carbosynth
Acetyl-D-homophenylalanine
25 g
$ 744.00

Total 20 raw suppliers

Chemical Property of Acetyl-D-Homophenylalanine

Chemical Property:

Vapor Pressure:2.68E-09mmHg at 25°C
Melting Point:170 - 172 °C (methanol)
Boiling Point:461.1°C at 760 mmHg
Flash Point:232.6°C
PSA：66.40000
Density:1.169g/cm³
LogP:1.59940
Storage Temp.:2-8°C
XLogP3:1.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:221.10519334
Heavy Atom Count:16
Complexity:247

Purity/Quality:

99%, ^*data from raw suppliers

Acetyl-D-homophenylalanine ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(=O)NC(CCC1=CC=CC=C1)C(=O)O
Isomeric SMILES:CC(=O)N[C@H](CCC1=CC=CC=C1)C(=O)O

Technology Process of Acetyl-D-Homophenylalanine

There total 10 articles about Acetyl-D-Homophenylalanine 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: 51.0%

: 5440-40-4
2-(acetylamino)-4-phenylbutanoic acid

: 943-73-7
D-homophenylalanine

: 5440-40-4,60505-02-4,96613-91-1,63393-59-9
(2R)-N-acetyl-2-amino-4-phenylbutyric acid

Guidance literature:: With L-aminoacylase; cobalt(II) chloride; In aq. buffer; at 20 - 38 ℃; for 1h; pH=7.5; enantioselective reaction; Inert atmosphere; Resolution of racemate; Enzymatic reaction;
DOI:10.1021/acs.orglett.8b03910

Reference yield:

: 4263-93-8,111611-91-7
2-hydroxy-4-phenylbutanoic acid

: 943-73-7
D-homophenylalanine

: 5440-40-4,60505-02-4,96613-91-1,63393-59-9
(2R)-N-acetyl-2-amino-4-phenylbutyric acid

Guidance literature:: Multi-step reaction with 4 steps

1: sodium nitrite; 2-azatricyclo[3.3.1.1^3,7]decan-2-ol / water; acetonitrile; aq. phosphate buffer / 2 h / 20 °C / Inert atmosphere

2: phenylglycin / water; acetonitrile / 24 h / Inert atmosphere; Reflux

3: sodium hydroxide / water / 2 h / 20 °C / Inert atmosphere

4: L-aminoacylase; cobalt(II) chloride / aq. buffer / 1 h / 20 - 38 °C / pH 7.5 / Inert atmosphere; Resolution of racemate; Enzymatic reaction

With L-aminoacylase; 2-azatricyclo[3.3.1.1^3,7]decan-2-ol; phenylglycin; cobalt(II) chloride; sodium hydroxide; sodium nitrite; In aq. phosphate buffer; water; acetonitrile;
DOI:10.1021/acs.orglett.8b03910

Reference yield:

: 710-11-2
2-oxo-4-phenylbutyric acid

: 943-73-7
D-homophenylalanine

: 5440-40-4,60505-02-4,96613-91-1,63393-59-9
(2R)-N-acetyl-2-amino-4-phenylbutyric acid

Guidance literature:: Multi-step reaction with 3 steps

1: phenylglycin / water; acetonitrile / 24 h / Inert atmosphere; Reflux

2: sodium hydroxide / water / 2 h / 20 °C / Inert atmosphere

3: L-aminoacylase; cobalt(II) chloride / aq. buffer / 1 h / 20 - 38 °C / pH 7.5 / Inert atmosphere; Resolution of racemate; Enzymatic reaction

With L-aminoacylase; phenylglycin; cobalt(II) chloride; sodium hydroxide; In water; acetonitrile;
DOI:10.1021/acs.orglett.8b03910