2-Nitrophenethyl alcohol

Base Information

• Chemical Name: 2-Nitrophenethyl alcohol
• CAS No.: 15121-84-3
• Molecular Formula: C8H9NO3
• Molecular Weight: 167.164
• Hs Code.: 29062990
• European Community (EC) Number: 239-178-1,273-447-4
• UNII: J2TPT86IRJ
• DSSTox Substance ID: DTXSID2025763
• Nikkaji Number: J275E
• Wikidata: Q27281070
• ChEMBL ID: CHEMBL2137523
• Mol file: 15121-84-3.mol

Synonyms:2-Nitrophenethyl alcohol;2-(2-Nitrophenyl)ethanol;15121-84-3;Benzeneethanol, 2-nitro-;2-Nitrobenzeneethanol;O-NITROPHENETHYL ALCOHOL;2-(o-Nitrophenyl)ethanol;2-(2-nitrophenyl)ethan-1-ol;2-(o-Nitrophenyl)ethyl alcohol;Phenethyl alcohol, o-nitro-;Benzeneethanol, ar-nitro-;Nitrophenylethanol;CCRIS 6078;ar-Nitrophenethyl alcohol;EINECS 239-178-1;UNII-J2TPT86IRJ;MFCD00007192;J2TPT86IRJ;2-(2-nitrophenyl)-ethanol;BRN 2092464;AI3-36271;DTXSID2025763;1-(2-hydroxyethyl)-2-nitrobenzene;EINECS 273-447-4;3-06-00-01714 (Beilstein Handbook Reference);68966-80-3;2-Nitrophenethylalcohol;2-(o-nitrophenyl)-ethanol;2-(2-nitro-phenyl)ethanol;2-(2-nitrophenyl) ethanol;MLS001050153;2-(2-Nitrophenyl)ethanol #;SCHEMBL249846;AMY644;DTXCID905763;2-Nitrophenethyl alcohol, 97%;CHEMBL2137523;2-(2-hydroxyethyl)-nitrobenzene;NITROPHENETHYL ALCOHOL, O-;STR05203;Tox21_200295;LS-883;AKOS009156887;2-(2-HYDROXYETHYL)NITROBENZENE;CS-W008358;NCGC00090875-01;NCGC00090875-02;NCGC00257849-01;SMR001216595;SY032578;CAS-15121-84-3;FT-0608505;EN300-64074;F11697;W-110404;Q27281070;Z992259002

Chemical Property of 2-Nitrophenethyl alcohol

Chemical Property:

• Appearance/Colour: brown liquid
• Vapor Pressure: 0.00416mmHg at 25°C
• Melting Point: 2 °C(lit.)
• Refractive Index: n20/D 1.5637(lit.)
• Boiling Point: 266.999 °C at 760 mmHg
• PKA: 14.63±0.10(Predicted)
• Flash Point: 129.642 °C
• PSA: 66.05000
• Density: 1.27 g/cm³
• LogP: 1.65280
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 167.058243149
• Heavy Atom Count: 12
• Complexity: 155

Purity/Quality:

98%,99%, ^*data from raw suppliers

2-Nitrophenethyl alcohol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)CCO)[N+](=O)[O-]
• Uses: 2-Nitrophenethyl alcohol was used in the synthesis of indoles.

Technology Process of 2-Nitrophenethyl alcohol

There total 21 articles about 2-Nitrophenethyl alcohol 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%

2-(2-nitrophenyl)acetic acid (3740-52-1) → 2-nitro-benzeneethanol (15121-84-3)

Guidance literature:

With borane-THF; In tetrahydrofuran; Ambient temperature;

DOI:10.1246/cl.1996.537

Reference yield: 99.5%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + 1-methyl-2-nitrobenzene (88-72-2) → 2-nitro-benzeneethanol (15121-84-3)

Guidance literature:

With sodium hydroxide; In water; dimethyl sulfoxide; at 50 ℃; for 1h; Large scale reaction;

DOI:10.1080/00397911.2010.495828

Reference yield: 85.0%

(E)-ethyl 3-(2-nitrophenyl)acrylate (24393-59-7) → 2-nitro-benzeneethanol (15121-84-3)

Guidance literature:

With sodium tetrahydroborate; cobalt(II) chloride hexahydrate; ethanol; diisopropylamine; at 25 - 50 ℃; for 24h;

upstream raw materials:

acetic acid phenethyl ester

formaldehyd

1-methyl-2-nitrobenzene

ethyl 2-nitrophenylacetate

Downstream raw materials:

2-aminophenethyl alcohol

(2-bromoethyl)-2-nitrobenzene

p-toluenesulfonic acid o-nitrophenethyl ester

(2-nitrophenyl)acetaldehyde

Refernces

• 1、 Mondal, Pradip Kumar,Tiwari, Sandip Kumar,Singh, Pushpendra,Pandey, Ganesh. "Direct Arylation of Distal and Proximal C(sp3)-H Bonds of t-Amines with Aryl Diazonium Tetrafluoroborates via Photoredox Catalysis". . p. 17184 - 17196. Retrieved 2021/12/02.
• 2、 Konishi, Hideyuki,Tanaka, Hiromichi,Manabe, Kei. "Pd-Catalyzed Selective Synthesis of Cyclic Sulfonamides and Sulfinamides Using K2S2O5 as a Sulfur Dioxide Surrogate". supporting information. p. 1578 - 1581. Retrieved 2017/04/13.