alpha-(alpha-Aminopropyl)benzyl alcohol

Base Information

• Chemical Name: alpha-(alpha-Aminopropyl)benzyl alcohol
• CAS No.: 5897-76-7
• Molecular Formula: C10H15NO
• Molecular Weight: 165.235
• European Community (EC) Number: 835-342-7
• NSC Number: 41764
• DSSTox Substance ID: DTXSID40871918
• Nikkaji Number: J65.963K
• Mol file: 5897-76-7.mol

Synonyms:5897-76-7;2-amino-1-phenylbutan-1-ol;alpha-(alpha-Aminopropyl)benzyl alcohol;2-AMINO-1-PHENYL-BUTANOL;1-Butanol,2-amino-1-phenyl;2-Amino-1-phenyl-1-butanol;USAF CS-7;1-Phenyl-1-hydroxy-2-amino-n-butane;1-Butanol, 2-amino-1-phenyl-;beta-Amino-alpha-phenylbutyl alcohol;alpha-(1-Aminopropyl)benzenemethanol;NSC 41764;UNII-S8TT5K3C8Y;Benzenemethanol, alpha-(1-aminopropyl)-;Benzenemethanol, .alpha.-(1-aminopropyl)-;Benzyl alcohol, .alpha.-(1-aminopropyl)-;BENZYL ALCOHOL, alpha-(1-AMINOPROPYL)-;S8TT5K3C8Y;SCHEMBL2838848;a-(a-Aminopropyl)benzyl Alcohol;DTXSID40871918;NSC41764;alpha-(1-Aminopropyl)benzyl alcohol;NSC-41764;LS-42710;.alpha.-(.alpha.-Aminopropyl)benzyl alcohol;FT-0748346;EN300-145308

Chemical Property of alpha-(alpha-Aminopropyl)benzyl alcohol

Chemical Property:

• Vapor Pressure: 0.000438mmHg at 25°C
• Melting Point: 79.5℃
• Refractive Index: 1.548
• Boiling Point: 302.4 °C at 760 mmHg
• PKA: 12.07±0.45(Predicted)
• Flash Point: 136.7 °C
• PSA: 46.25000
• Density: 1.048g/cm³
• LogP: 2.15760
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 165.115364102
• Heavy Atom Count: 12
• Complexity: 121

Purity/Quality:

99%, ^*data from raw suppliers

2-amino-1-phenylbutan-1-ol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C(C1=CC=CC=C1)O)N

Technology Process of alpha-(alpha-Aminopropyl)benzyl alcohol

There total 22 articles about alpha-(alpha-Aminopropyl)benzyl alcohol 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%

2-nitro-1-phenylbutyl alcohol (7248-39-7) → 2-Amino-1-phenyl-1-butanol (5897-76-7)

Guidance literature:

With ammonium formate; palladium on activated charcoal; In tetrahydrofuran; methanol; Ambient temperature; erythro/threo ratio 1/3.2 (this ratio in starting subst. 1/3.2 );

DOI:10.1016/S0040-4039(00)82175-9

Reference yield:

1-(dimethyl-t-butyl-silyloxy)-2-nitro-1-phenyl-butan (72936-48-2) → 2-Amino-1-phenyl-1-butanol (5897-76-7)

Guidance literature:

With lithium aluminium tetrahydride; In diethyl ether;

DOI:10.1002/hlca.19790620722

Reference yield:

2-Amino-1-phenyl-butan-1-ol; compound with oxalic acid (72943-00-1) → 2-Amino-1-phenyl-1-butanol (5897-76-7)

Guidance literature:

With sodium carbonate; In diethyl ether;

DOI:10.1002/hlca.19810640314

upstream raw materials:

1-(dimethyl-t-butyl-silyloxy)-2-nitro-1-phenyl-butan

2-nitro-1-phenylbutyl alcohol

2-Amino-1-phenyl-butan-1-ol; compound with oxalic acid

benzaldehyde

Downstream raw materials:

[6-Amino-4-(1-benzoyl-propylamino)-5-nitro-pyridin-2-yl]-carbamic acid ethyl ester

(5-Amino-2-ethyl-3-phenyl-1,2-dihydro-pyrido[3,4-b]pyrazin-7-yl)-carbamic acid ethyl ester

propiophenone

1-benzylpropylamine

Refernces

• 1、 -. "Process for producing optically active 3,3,3-Trifluoro-2-Hydroxy-2-Methylpropionic acid, and salt thereof". . . Retrieved 2008/06/13.
• 2、 -. "Method for producing optically active amines". . . Retrieved 2008/06/13.