3-Amino-3-p-tolylpropan-1-ol

Base Information

• Chemical Name: 3-Amino-3-p-tolylpropan-1-ol
• CAS No.: 68208-23-1
• Molecular Formula: C10H15NO
• Molecular Weight: 165.235
• Hs Code.: 2921499090
• DSSTox Substance ID: DTXSID30590424
• Nikkaji Number: J3.201.892K
• Mol file: 68208-23-1.mol

Synonyms:68208-23-1;3-amino-3-p-tolylpropan-1-ol;3-Amino-3-p-tolyl-propan-1-ol;3-p-tolyl-dl-beta-alaninol;3-amino-3-(4-methylphenyl)propan-1-ol;3-Amino-3-(p-tolyl)propan-1-ol;dl-beta-3-p-tolylalaninol;MFCD07784146;(s)-3-amino-3-p-tolyl-propan-1-ol;DL- -3-p-Tolylalaninol;SCHEMBL3386789;DTXSID30590424;DLRHJVGOQVPPGF-UHFFFAOYSA-N;MFCD03412788;AKOS011674831;SB44884;SB44954;SB84052;(3R)-3-amino-3-(p-tolyl)propan-1-ol;AS-38523;DB-014763;DB-016878;DB-059569;3-Amino-3-p-tolyl-propan-1-ol, AldrichCPR;CS-0172124;A13006;EN300-1256173;3-P-TOLYL-DL-BETA-ALANINOL

Chemical Property of 3-Amino-3-p-tolylpropan-1-ol

Chemical Property:

• Vapor Pressure: 0.000248mmHg at 25°C
• Refractive Index: 1.554
• Boiling Point: 311 °C at 760 mmHg
• Flash Point: 141.9 °C
• PSA: 46.25000
• Density: 1.052 g/cm³
• LogP: 2.07750
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 165.115364102
• Heavy Atom Count: 12
• Complexity: 119

Purity/Quality:

98%min ^*data from raw suppliers

3-Amino-3-(4-methylphenyl)propan-1-ol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)C(CCO)N
• Uses: 3-Amino-3-(4-methylphenyl)propan-1-ol is an intermediate used in the preparation of 4-arylcyclophosphamide, a potential antitumor agent.

Technology Process of 3-Amino-3-p-tolylpropan-1-ol

There total 3 articles about 3-Amino-3-p-tolylpropan-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:

3-amino-3-(p-tolyl)propionic acid (68208-18-4,479065-00-4) → 3-amino-3-p-tolylpropan-1-ol (68208-23-1,1071436-36-6)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; at 0 ℃; for 5.5h; Inert atmosphere; Reflux;

DOI:10.1016/j.tet.2020.131064

Reference yield:

4-methyl-benzaldehyde (104-87-0) → 3-amino-3-p-tolylpropan-1-ol (68208-23-1,1071436-36-6)

Guidance literature:

Multi-step reaction with 2 steps

1: ammonium acetate / ethanol / 16 h / Inert atmosphere; Reflux

2: lithium aluminium tetrahydride / tetrahydrofuran / 5.5 h / 0 °C / Inert atmosphere; Reflux

With lithium aluminium tetrahydride; ammonium acetate; In tetrahydrofuran; ethanol;

DOI:10.1016/j.tet.2020.131064

Reference yield:

→ 3-amino-3-p-tolylpropan-1-ol (68208-23-1,1071436-36-6)

Guidance literature:

entspr. Aminopropionsaeure 4, LiAlH4;

upstream raw materials:

4-methyl-benzaldehyde

3-amino-3-(p-tolyl)propionic acid

Refernces