(R)-1-Phenylbutylamine

Base Information

• Chemical Name: (R)-1-Phenylbutylamine
• CAS No.: 6150-01-2
• Molecular Formula: C₁₀H₁₅N
• Molecular Weight: 149.236
• Hs Code.: 2921499090
• European Community (EC) Number: 662-852-5
• DSSTox Substance ID: DTXSID10368709
• Nikkaji Number: J57.119I
• Wikidata: Q72501423
• Mol file: 6150-01-2.mol

Synonyms:(R)-1-PHENYLBUTYLAMINE;6150-01-2;(R)-1-Phenylbutan-1-amine;(1R)-1-phenylbutan-1-amine;(1R)-1-phenyl-1-butanamine;(r)-phenylbutylamine;(R)-1-(phenyl)-butylamine;(R)-1-Phenyl-1-butanamine;SCHEMBL3672360;(R)-1-Phenylbutylamine, 98%;DTXSID10368709;XHOXKVFLASIOJD-SNVBAGLBSA-N;MFCD08064290;AKOS012536547;AKOS015842706;CS-0454208;Y11637;A833269;(R)-1-Phenylbutylamine, ChiPros(R), produced by BASF, 99%

Chemical Property of (R)-1-Phenylbutylamine

Chemical Property:

• Vapor Pressure: 0.0938mmHg at 25°C
• Refractive Index: 1.52
• Boiling Point: 223.9 °C at 760 mmHg
• PKA: 9.31±0.10(Predicted)
• Flash Point: 93.8 °C
• PSA: 26.02000
• Density: 0.934g/cm³
• LogP: 3.18680
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 149.120449483
• Heavy Atom Count: 11
• Complexity: 95

Purity/Quality:

98% ^*data from raw suppliers

(R)-1-Phenylbutan-1-amine 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 34-52/53
• Safety Statements: 26-36/37/39-45-61

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC(C1=CC=CC=C1)N
• Isomeric SMILES: CCC[C@H](C1=CC=CC=C1)N

Technology Process of (R)-1-Phenylbutylamine

There total 25 articles about (R)-1-Phenylbutylamine 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: 98.0%

C14H23NOS (1315613-42-3) → (R)-1-phenylbutylamine (2941-19-7,3789-60-4,6150-01-2,62311-56-2)

Guidance literature:

With hydrogenchloride; In methanol; diethyl ether; at 0 - 20 ℃; for 3h; Inert atmosphere;

DOI:10.15227/orgsyn.090.0338

Reference yield: 94.0%

C14H21NOS → (R)-1-phenylbutylamine (2941-19-7,3789-60-4,6150-01-2,62311-56-2)

Guidance literature:

C₁₄H₂₁NOS; With [RhCl₂(p-cymene)]2; potassium tert-butylate; 2-Amino-2-methyl-1-propanol; isopropyl alcohol; at 50 ℃; for 0.5h; Inert atmosphere; Microwave irradiation; Molecular sieve;

With hydrogenchloride; In methanol; at 20 ℃; enantioselective reaction; Inert atmosphere;

DOI:10.1002/ejoc.201402884

Reference yield: 86.0%

1-phenyl-butylamine (2941-19-7) → (S)-1-amino-1-phenylbutane (3789-60-4) + (R)-1-phenylbutylamine (2941-19-7,3789-60-4,6150-01-2,62311-56-2)

Guidance literature:

With pyridoxal 5'-phosphate; Glyoxilic acid; In aq. phosphate buffer; at 37 ℃; for 30h; pH=7; enantioselective reaction; Resolution of racemate; Enzymatic reaction;

DOI:10.1002/adsc.201500239

upstream raw materials:

1-phenylbutan-1-one-O-methyl oxime

(E)-1-phenylbutan-1-one O-methyl oxime

n-butyllithium

(R,E)-(+)-O-(1-phenylethyl) benzaldoxime

Downstream raw materials:

propiophenone

Refernces

• 1、 Tseliou, Vasilis,Knaus, Tanja,Masman, Marcelo F.,Corrado, Maria L.,Mutti, Francesco G.. "Generation of amine dehydrogenases with increased catalytic performance and substrate scope from ε-deaminating L-Lysine dehydrogenase". . . Retrieved 2019/08/22.