Benzoyl-dl-phenylalanine

Base Information

• Chemical Name: Benzoyl-dl-phenylalanine
• CAS No.: 2901-76-0
• Molecular Formula: C₁₆H₁₅NO₃
• Molecular Weight: 269.3
• European Community (EC) Number: 636-715-5
• NSC Number: 96354,167264,118532
• DSSTox Substance ID: DTXSID301311364
• Nikkaji Number: J274.655G
• Wikidata: Q27162531
• ChEMBL ID: CHEMBL67572
• Mol file: 2901-76-0.mol

Synonyms:2901-76-0;Benzoyl-dl-phenylalanine;2-benzamido-3-phenylpropanoic acid;N-Benzoyl-dl-phenylalanine;N-Benzoylphenylalanine;Bz-DL-Phe-OH;3-phenyl-2-(phenylformamido)propanoic acid;CHEBI:90419;2-(benzoylamino)-3-phenylpropanoic acid;93059-41-7;N-(phenylcarbonyl)phenylalanine;N-Benzoylphenylalanine #;BENZOYL-D-PHE-OH;Phenylalanine,N-benzoyl-;NSC-118532;2-Benzamido-3-phenylpropanoicacid;(2S)-2-benzamido-3-phenylpropanoic acid;MFCD00037252;NCIOpen2_007081;N-Benzoyl-D,L-Phenylalanine;Oprea1_754356;MLS000048365;CHEMBL67572;SCHEMBL111235;DTXSID301311364;HMS1659K12;HMS2288N06;NSC96354;BBL014468;NSC-96354;NSC118532;NSC167264;STK078967;2-Benzoylamino-3-phenylpropionic acid;AKOS000273933;AKOS016040290;2J-369S;HY-W128407;NSC-167264;2-(benzoylamino)-3-phenylpropionic acid;SMR000062385;B0302;CS-0186555;FT-0634543;EN300-00202;VU0509001-1;F10835;A819721;J-017354;Q27162531;Z85881058;F3095-4679;1,1,3-TRIMETHYL-3-PHENYLINDAN-4,5-DICARBOXYLICACID

Chemical Property of Benzoyl-dl-phenylalanine

Chemical Property:

• Vapor Pressure: 3.8E-12mmHg at 25°C
• Melting Point: 187ºC
• Refractive Index: 1.604
• Boiling Point: 532 °C at 760 mmHg
• PKA: 3.80±0.10(Predicted)
• Flash Point: 275.5 °C
• PSA: 66.40000
• Density: 1.232 g/cm³
• LogP: 2.50320
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: almost transparency in Methanol
• Water Solubility.: 0.85g/L(25.1 oC)
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 269.10519334
• Heavy Atom Count: 20
• Complexity: 331

Purity/Quality:

98% ^*data from raw suppliers

Benzoyl-DL-phenylalanine ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CC(C(=O)O)NC(=O)C2=CC=CC=C2

Technology Process of Benzoyl-dl-phenylalanine

There total 40 articles about Benzoyl-dl-phenylalanine 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: 100.0%

(Z)-2-benzamidocinnamic acid (26348-47-0) → DL-N-benzoylphenylalanine (2566-22-5,2901-76-0,37002-52-1)

Guidance literature:

With hydrogen; for 0.00277778h;

DOI:10.1021/acs.jpca.5b06802

Reference yield: 99.0%

Phenylalanine (150-30-1,25191-15-5,658-69-5,67675-33-6) + benzoyl chloride (98-88-4) → DL-N-benzoylphenylalanine (2566-22-5,2901-76-0,37002-52-1)

Guidance literature:

With sodium hydroxide; N-ethyl-N,N-diisopropylamine; In water; 1.) 0 deg C, 30 min; 2.) up to RT, 30 min;

Reference yield: 98.0%

→ DL-N-benzoylphenylalanine (2566-22-5,2901-76-0,37002-52-1)

Guidance literature:

With hydrogen; In methanol; for 72h; under 760 Torr;

DOI:10.1016/S0040-4020(01)82411-X

upstream raw materials:

2-benzoylaminocinnamic acid

Phenylalanine

benzoyl chloride

(4Z)-4-benzylidene-2-phenyl-1,3-oxazol-5(4H)-one

Downstream raw materials:

N-(1-benzyl-2-oxo-propyl)-benzamide

N-benzoylphenylalanine ethylester

(S)-N-benzoyl-phenylalanine anilide

N-(N-benzoyl-phenylalanyl)-glycine