1-(3-Nitrophenyl)propan-1-ol

Base Information

• Chemical Name: 1-(3-Nitrophenyl)propan-1-ol
• CAS No.: 125712-82-5
• Molecular Formula: C₉H₁₁ClO
• Molecular Weight: 170.639
• DSSTox Substance ID: DTXSID70441007
• Nikkaji Number: J1.576.977G
• Mol file: 125712-82-5.mol

Synonyms:1-(3-nitrophenyl)propan-1-ol;125712-82-5;29067-53-6;SCHEMBL2509178;1-(3-nitrophenyl)-1-propanol;alpha-ethyl-3-nitrobenzyl alcohol;DTXSID70441007;LSEJDXFJBNGGBI-UHFFFAOYSA-N;alpha-ethyl-3-nitro-benzenemethanol;BCP12168;FT-0658389;EN300-296168

Chemical Property of 1-(3-Nitrophenyl)propan-1-ol

Chemical Property:

• Boiling Point: 295.307 °C at 760 mmHg
• Flash Point: 127.842 °C
• PSA: 66.05000
• Density: 1.217 g/cm³
• LogP: 2.56140
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 181.07389321
• Heavy Atom Count: 13
• Complexity: 178

Purity/Quality:

97% ^*data from raw suppliers

(S)-1-(3-NITROPHENYL)PROPANOL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C1=CC(=CC=C1)[N+](=O)[O-])O

Technology Process of 1-(3-Nitrophenyl)propan-1-ol

There total 57 articles about 1-(3-Nitrophenyl)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: 100.0%

Chloro-acetic acid (S)-3-chloro-1-phenyl-propyl ester (142037-19-2) → 3-chloro-1-phenylpropanol (100306-34-1,125712-82-5)

Guidance literature:

With methanol; potassium carbonate;

DOI:10.1016/S0957-4166(00)80257-8

Reference yield: 94.0%

3-chloropropiophenone (936-59-4) → 3-chloro-1-phenylpropanol (100306-34-1,125712-82-5)

Guidance literature:

With potassium formate; Cp*IrCl[(S,S)-MsDPEN]; In water; toluene; at 50 ℃; for 24h; Product distribution / selectivity;

Reference yield: 75.0%

3-chloropropiophenone (936-59-4) → 3-chloro-1-phenylpropanol (100306-34-1,125712-82-5) + (1R)-3-chloro-1-phenylpropanol (100306-33-0,125712-82-5)

Guidance literature:

With dimethylsulfide borane complex; C₂₃H₂₂BNO₃; In tetrahydrofuran; at 20 ℃; for 2h; Reagent/catalyst;

upstream raw materials:

3-chloropropanaldehyde

3-chloropropiophenone

(+/-)-(1,3-dichloropropyl)benzene

3'-chloro-propiophenone

Downstream raw materials:

(γ-oxy-γ-phenyl-propyl)-benzoate

(S)-(-)-2-phenyloxetane

(R)-(+)-2-Phenyloxetane

3-(isopropylamino)-1-phenyl-1-propanol