(S)-2-Amino-1,1,3-triphenylpropan-1-ol

Base Information

• Chemical Name: (S)-2-Amino-1,1,3-triphenylpropan-1-ol
• CAS No.: 79868-78-3
• Molecular Formula: C21H21NO
• Molecular Weight: 303.404
• Hs Code.: 2922190090
• European Community (EC) Number: 624-140-2
• DSSTox Substance ID: DTXSID60427476
• Nikkaji Number: J71.948J
• Wikidata: Q82240130
• ChEMBL ID: CHEMBL5005245
• Mol file: 79868-78-3.mol

Synonyms:(S)-2-Amino-1,1,3-triphenylpropan-1-ol;79868-78-3;(S)-(-)-2-Amino-1,1,3-triphenyl-1-propanol;(2S)-2-amino-1,1,3-triphenylpropan-1-ol;s-2-amino-1,1,3-triphenylpropan-1-ol;SCHEMBL1262139;CHEMBL5005245;DTXSID60427476;KBXBDYRXZGBOIH-FQEVSTJZSA-N;AS-63880;(S)-1,1,3-Triphenyl-2-amino-1-propanol;(S)-2-Amino-1,1,3-triphenyl-1-propanol;CS-0085709;D95554;(S)-(-)-2-Amino-1,1,3-triphenyl-1-propanol, 98%

Chemical Property of (S)-2-Amino-1,1,3-triphenylpropan-1-ol

Chemical Property:

• Vapor Pressure: 6.57E-11mmHg at 25°C
• Melting Point: 139-144 °C(lit.)
• Refractive Index: 1.627
• Boiling Point: 502.3 °C at 760 mmHg
• Flash Point: 257.6 °C
• PSA: 46.25000
• Density: 1.145 g/cm³
• LogP: 4.19280
• Storage Temp.: 2-8°C
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 303.162314293
• Heavy Atom Count: 23
• Complexity: 320

Purity/Quality:

95% ^*data from raw suppliers

(S)-(?)-2-Amino-1,1,3-triphenyl-1-propanol 98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CC(C(C2=CC=CC=C2)(C3=CC=CC=C3)O)N
• Isomeric SMILES: C1=CC=C(C=C1)C[C@@H](C(C2=CC=CC=C2)(C3=CC=CC=C3)O)N

Technology Process of (S)-2-Amino-1,1,3-triphenylpropan-1-ol

There total 24 articles about (S)-2-Amino-1,1,3-triphenylpropan-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: 81.0%

bromobenzene (108-86-1,52753-63-6) + H-Phe-OEt (3081-24-1) → (S)-(-)-2-amino-1,1,3-triphenyl-1-propanol (79868-78-3)

Guidance literature:

bromobenzene; With magnesium; In diethyl ether; for 0.5h; Heating;

H-Phe-OEt; In diethyl ether; for 0.5h; Further stages.; Heating;

DOI:10.1016/j.tetasy.2008.06.036

Reference yield: 70.0%

bromobenzene (108-86-1,52753-63-6) + methyl (2S)-2-amino-3-phenylpropanoate hydrochloride (7524-50-7) → (S)-(-)-2-amino-1,1,3-triphenyl-1-propanol (79868-78-3)

Guidance literature:

bromobenzene; With magnesium; In diethyl ether;

methyl (2S)-2-amino-3-phenylpropanoate hydrochloride; In diethyl ether; at 0 - 20 ℃;

DOI:10.1016/S0957-4166(03)00122-8

Reference yield: 65.3%

methyl (2S)-2-amino-3-phenylpropanoate hydrochloride (7524-50-7) + phenylmagnesium bromide (100-58-3) → (S)-(-)-2-amino-1,1,3-triphenyl-1-propanol (79868-78-3)

Guidance literature:

In diethyl ether; at 0 ℃; Inert atmosphere;

upstream raw materials:

L-phenylalanine

bromobenzene

(L)-phenylalanine ethyl ester hydrochloride

methyl (2S)-2-amino-3-phenylpropanoate hydrochloride

Downstream raw materials:

(4S,8R,11S)-(-)-11-Benzyl-10,10-diphenyl-9-oxa-1-azatricyclo[6.3.0.0^4,8]undecan-2-one

(S)-(-)-5-benzyl-4,4-diphenyl-1,3-oxazolidinone

(S)-4,4-diphenyl-5-benzyloxazolidin-2-thione