(S)-2-(Benzylamino)propan-1-ol

Base Information

• Chemical Name: (S)-2-(Benzylamino)propan-1-ol
• CAS No.: 6940-80-3
• Molecular Formula: C10H15NO
• Molecular Weight: 165.235
• Hs Code.: 2922199090
• European Community (EC) Number: 695-054-0
• NSC Number: 60401
• DSSTox Substance ID: DTXSID70418133
• Nikkaji Number: J1.045.765C
• Wikidata: Q82228456
• Mol file: 6940-80-3.mol

Synonyms:(S)-2-(Benzylamino)propan-1-ol;6940-80-3;(2S)-2-(benzylamino)propan-1-ol;N-BENZYL-L-ALANINOL;(2s)-2-[benzylamino]propan-1-ol;1-Propanol, 2-[(phenylmethyl)amino]-, (2S)-;NSC60401;SCHEMBL1189292;(2S)-2-benzylamino-1-propanol;(S)-2-Benzylamino-propan-1-ol;DTXSID70418133;PJXWCRXOPLGFLX-VIFPVBQESA-N;AMY21746;CS-M1051;MFCD03840382;NSC-60401;AKOS006275865;DS-5748;(S)-2-[(Phenylmethyl)amino]-1-propanol;(2S)-2-[(phenylmethyl)amino]-1-propanol;1-Propanol,2-[(phenylmethyl)amino]-,(2S)-;A904051;(S)-2-(Benzylamino)-1-propanol

Chemical Property of (S)-2-(Benzylamino)propan-1-ol

Chemical Property:

• Vapor Pressure: 0.000848mmHg at 25°C
• Melting Point: 47-49 °C(Solv: cyclohexane (110-82-7); ligroine (8032-32-4))
• Refractive Index: 1.531
• Boiling Point: 292.2 °C at 760 mmHg
• PKA: 14.59±0.10(Predicted)
• Flash Point: 120 °C
• PSA: 32.26000
• Density: 1.02 g/cm³
• LogP: 1.54790
• Storage Temp.: 2-8°C(protect from light)
• Solubility.: Chloroform; Methanol
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 165.115364102
• Heavy Atom Count: 12
• Complexity: 110

Purity/Quality:

98.5% ^*data from raw suppliers

(S)-2-(Benzylamino)propan-1-ol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CO)NCC1=CC=CC=C1
• Isomeric SMILES: C[C@@H](CO)NCC1=CC=CC=C1

Technology Process of (S)-2-(Benzylamino)propan-1-ol

There total 18 articles about (S)-2-(Benzylamino)propan-1-ol 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: 97.8%

→ (S)-N-benzylalaninol (6940-80-3,6940-81-4)

Guidance literature:

Reference yield: 87.0%

N-benzoyl-L-alanine methyl ester (7244-67-9,38767-73-6) → (S)-N-benzylalaninol (6940-80-3,6940-81-4)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; for 3h; Heating;

DOI:10.1002/jhet.5570410109

Reference yield: 86.0%

(S)-Alaninol (2749-11-3) + benzaldehyde (100-52-7) → (S)-N-benzylalaninol (6940-80-3,6940-81-4)

Guidance literature:

(S)-Alaninol; benzaldehyde; In ethanol; for 6h; Reflux;

With sodium tetrahydroborate; In ethanol; at 20 ℃; for 4h; Cooling with ice;

DOI:10.1055/s-0037-1611536

upstream raw materials:

N-benzoyl-L-alanine

2-(benzylamino)-1-propanol

N-benzyl-(S)-alanine

(S)-Alaninol

Downstream raw materials:

6-methyl-9,10-didehydro-ergoline-8β-carboxylic acid-[benzyl-((S)-β-hydroxy-isopropyl)-amide]

(S)-Alaninol

(S)-(+)-2-[N-Benzyl-N-(3,3-diphenyl-2-propen-1-yl)]amino-1-propanol

(3S)-3-methyl-4-(phenylmethyl)morpholine

Refernces

• 1、 Chen, Ning,Li, Xiang,Xu, Jiaxi. "Microwave-Assisted CuCl-Catalyzed Three-Component Reactions of Alkynes, Aldehydes, and Amino Alcohols". supporting information. p. 3336 - 3344. Retrieved 2019/08/28.
• 2、 -. "NITROGEN-CONTAINING SPIROCYCLIC COMPOUNDS AND PHARMACEUTICAL USES THEREOF". Page/Page column 47-48. . Retrieved 2011/06/24.