1-(3-Nitrophenyl)-1,2-ethanediol

Base Information

• Chemical Name: 1-(3-Nitrophenyl)-1,2-ethanediol
• CAS No.: 101999-47-7
• Molecular Formula: C8H9NO4
• Molecular Weight: 183.164
• DSSTox Substance ID: DTXSID901302488
• Nikkaji Number: J1.682.258B
• Mol file: 101999-47-7.mol

Synonyms:1-(3-Nitrophenyl)-1,2-ethanediol;101999-47-7;3-nitrophenyl 1,2-ethandiol;SCHEMBL2234292;IYGXIMNQCSZWHE-UHFFFAOYSA-N;DTXSID901302488;1-(3-Nitrophenyl)ethane-1,2-diol

Chemical Property of 1-(3-Nitrophenyl)-1,2-ethanediol

Chemical Property:

• XLogP3: 0.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 183.05315777
• Heavy Atom Count: 13
• Complexity: 180

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-(3-Nitrophenyl)-1,2-ethanediol

There total 11 articles about 1-(3-Nitrophenyl)-1,2-ethanediol 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%

3-nitrophenylglyoxal (6890-77-3) → 1-(3-nitrophenyl)ethane-1,2-diol (101999-47-7)

Guidance literature:

With sodium tetrahydroborate; In ethanol; for 1h;

DOI:10.1016/j.tetasy.2011.12.008

Reference yield: 90.0%

1-nitro-3-vinyl-benzene (586-39-0,51209-60-0) → 1-(3-nitrophenyl)ethane-1,2-diol (101999-47-7)

Guidance literature:

With osmium(VIII) oxide; 4-methylmorpholine N-oxide; In tetrahydrofuran; water; tert-butyl alcohol; at 20 ℃; for 12h; Sealed tube;

DOI:10.1002/anie.201711531

Reference yield: 30.0%

spirocyclobutylmalonoyl peroxide (34867-87-3) + 1-nitro-3-vinyl-benzene (586-39-0,51209-60-0) → 1-(3-nitrophenyl)ethane-1,2-diol (101999-47-7)

Guidance literature:

spirocyclobutylmalonoyl peroxide; 1-nitro-3-vinyl-benzene; With water; In chloroform; at 40 ℃;

With water; sodium hydroxide; In chloroform; at 40 ℃; for 18h;

DOI:10.1021/jo202084w

upstream raw materials:

1-nitro-3-vinyl-benzene

2-(3-nitrophenyl)oxirane

ethyl acetate

3-nitro-benzaldehyde

Downstream raw materials:

3-nitrobenzoic acid

(RS)-2-(3-aminophenyl)-2-hydroxyethanol

3-amino-mandelic acid-methyl ester

3-nitro-benzaldehyde