DL-PHENYLALANINOL

Base Information

• Chemical Name: DL-PHENYLALANINOL
• CAS No.: 16088-07-6
• Molecular Formula: C₉H₁₃NO
• Molecular Weight: 151.208
• Hs Code.: 29221990
• NSC Number: 133421,20899
• UNII: C8L8LX87R1
• DSSTox Substance ID: DTXSID90863121
• Nikkaji Number: J304.028C
• ChEMBL ID: CHEMBL21676
• Mol file: 16088-07-6.mol

Synonyms:Benzylethanolamine;

Chemical Property of DL-PHENYLALANINOL

Chemical Property:

• Vapor Pressure: 0.0004mmHg at 25°C
• Melting Point: 64-72 °C
• Boiling Point: 303.8 °C at 760 mmHg
• PKA: 12.85±0.10(Predicted)
• Flash Point: 137.5 °C
• PSA: 46.25000
• Density: 1.077 g/cm³
• LogP: 1.24900
• Storage Temp.: Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 151.099714038
• Heavy Atom Count: 11
• Complexity: 99.7

Purity/Quality:

98%,99%, ^*data from raw suppliers

DL-Phenylalaninol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 34
• Safety Statements: 45-36/37/39-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CC(CO)N
• Uses: DL-Phenylalaninol may inhibit ulcer formation in rats, mainly by central inhibition of gastric acid secretion.

Technology Process of DL-PHENYLALANINOL

There total 24 articles about DL-PHENYLALANINOL 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%

Phenylalanine (150-30-1,25191-15-5,658-69-5,67675-33-6) → rac-phenylalaninol (1795-98-8,3182-95-4,5267-64-1,16088-07-6)

Guidance literature:

With sodium tetrahydroborate; iodine;

DOI:10.1002/cctc.202000597

Reference yield: 80.0%

ethyl 2-(hydroxyimino)-3-phenylpropanoate (6943-96-0,70564-52-2,70564-53-3) → rac-phenylalaninol (1795-98-8,3182-95-4,5267-64-1,16088-07-6)

Guidance literature:

With sodium tetrahydroborate; iodine; In tetrahydrofuran; for 4h; Heating;

DOI:10.1055/s-2003-41046

Reference yield: 77.0%

Phenylalanine (150-30-1,25191-15-5,658-69-5,67675-33-6) + dimethyl sulfide borane (13292-87-0) → rac-phenylalaninol (1795-98-8,3182-95-4,5267-64-1,16088-07-6)

Guidance literature:

With sodium hydroxide; In tetrahydrofuran; water;

upstream raw materials:

ethyl N-acetyl-DL-phenylalaninate

Z-β-ethoxycarbonyl-β-nitrostyrene

phenylalanine ethyl ester

acetic acid-(β-nitro-cinnamyl ester)

Downstream raw materials:

1-bromomethyl-2-phenyl-ethylamine

2-(2,4-dinitro-anilino)-3-phenyl-propan-1-ol

4-benzyloxazolidine-2-thione

1-Benzenesulfonyl-2-benzylethyleneimine

Refernces

• 1、 Tian, Yingying,Kunz, Doris. "Nucleophilic RhI Catalyzed Selective Isomerization of Terminal Aziridines to Enamides". . p. 4272 - 4275. Retrieved 2020/07/04.
• 2、 -. "Ligand, metal complex containing ligand, and reaction using metal complex containing ligand". Page/Page column 46-50. . Retrieved 2016/10/31.