1-Amino-4-phenyl-2-butan-one hydrochloride

Base Information

• Chemical Name: 1-Amino-4-phenyl-2-butan-one hydrochloride
• CAS No.: 31419-53-1
• Molecular Formula: C10H13NO.ClH
• Molecular Weight: 199.68
• European Community (EC) Number: 868-173-2
• Mol file: 31419-53-1.mol

Synonyms:31419-53-1;1-Amino-4-phenylbutan-2-one hydrochloride;1-amino-4-phenyl-2-butan-one hydrochloride;SCHEMBL2398138;OHKDDAKDIQTBBJ-UHFFFAOYSA-N;amino-4-phenylbutan-2-on-hydrochloride;1-amino-4-phenylbutan-2-one;hydrochloride;CS-0292003;G49466;EN300-7429886;Z3719299469

Chemical Property of 1-Amino-4-phenyl-2-butan-one hydrochloride

Chemical Property:

• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 199.0763918
• Heavy Atom Count: 13
• Complexity: 139

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CCC(=O)CN.Cl

Technology Process of 1-Amino-4-phenyl-2-butan-one hydrochloride

There total 7 articles about 1-Amino-4-phenyl-2-butan-one hydrochloride 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: 87.0%

5-Phenethyl-oxazole-4-carboxylic acid ethyl ester (113697-86-2) → 1-amino-4-phenyl-2-butan-one hydrochloride (31419-53-1)

Guidance literature:

With hydrogenchloride; at 100 ℃; for 6h;

DOI:10.1016/0223-5234(87)90265-0

Reference yield: 76.0%

1-azido-4-phenylbutan-2-one (102831-08-3) → 1-amino-4-phenyl-2-butan-one hydrochloride (31419-53-1)

Guidance literature:

With hydrogenchloride; hydrogen; palladium on activated charcoal; In methanol; for 5h; under 2327.2 Torr; Ambient temperature;

DOI:10.1021/jo00367a026

Reference yield: 63.0%

5-Phenethyl-oxazole-4-carboxylic acid methyl ester (81658-19-7) → 1-amino-4-phenyl-2-butan-one hydrochloride (31419-53-1)

Guidance literature:

With hydrogenchloride;

DOI:10.1248/cpb.32.2536

upstream raw materials:

5-Phenethyl-oxazole-4-carboxylic acid methyl ester

5-Phenethyl-oxazole-4-carboxylic acid ethyl ester

1-azido-4-phenylbutan-2-one

1-bromo-4-phenylbutan-2-one

Downstream raw materials:

1-N-tert-butoxycarbonylamino-4-phenyl-2-butanone

(4-phenylethyl)-2-mercaptoimidazole

2-Amino-5-nitro-6-(2-oxo-4-phenyl-butylamino)-3H-pyrimidin-4-one

N-[1-(3-Phenyl-propionyl)-pentyl]-formamide