2-[(4-Chloro-2-nitrophenyl)amino]-2-methylpropan-1-ol

Base Information

• Chemical Name: 2-[(4-Chloro-2-nitrophenyl)amino]-2-methylpropan-1-ol
• CAS No.: 5139-30-0
• Molecular Formula: C10H13ClN2O3
• Molecular Weight: 244.6748
• DSSTox Substance ID: DTXSID40965700
• Wikidata: Q82948001

Synonyms:303139-71-1;2-[(4-chloro-2-nitrophenyl)amino]-2-methylpropan-1-ol;2-((4-Chloro-2-nitrophenyl)amino)-2-methylpropan-1-ol;2-(4-chloro-2-nitroanilino)-2-methylpropan-1-ol;5139-30-0;Chembrdg-bb 5139300;Oprea1_537887;DTXSID40965700;MFCD00545944;STK020349;AKOS000294479;BS-35910;CS-0333251;SR-01000196680;SR-01000196680-1;2-[(4-Chloro-2-nitrophenyl)amino]-2-methyl-1-propanol

Chemical Property of 2-[(4-Chloro-2-nitrophenyl)amino]-2-methylpropan-1-ol

Chemical Property:

• Vapor Pressure: 1.82E-07mmHg at 25°C
• Boiling Point: 410.2°Cat760mmHg
• Flash Point: 201.9°C
• Density: 1.361g/cm³
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 244.0614700
• Heavy Atom Count: 16
• Complexity: 255

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(CO)NC1=C(C=C(C=C1)Cl)[N+](=O)[O-]

Technology Process of 2-[(4-Chloro-2-nitrophenyl)amino]-2-methylpropan-1-ol

There total 2 articles about 2-[(4-Chloro-2-nitrophenyl)amino]-2-methylpropan-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:

O6-ethyl-D-glucose → (2S,3R,4R,5R)-6-Ethoxy-hexane-1,2,3,4,5-pentaol (5139-30-0,5139-33-3)

Guidance literature:

With sodium tetrahydroborate; In water; for 2h; Ambient temperature;

DOI:10.1016/0008-6215(88)85067-5

Reference yield:

L-O1,O2,O3,O4,O5-pentaacetyl-O6-ethyl-galactitol (5139-22-0,5139-26-4,59921-39-0,59953-26-3,59953-39-8) → 1-Aethyl-D-dulcit (5139-30-0)

Guidance literature:

With barium methoxide; In methanol;

Reference yield:

acetic anhydride (108-24-7) + (2S,3R,4R,5R)-6-Ethoxy-hexane-1,2,3,4,5-pentaol (5139-30-0,5139-33-3) → Acetic acid (1R,2R,3S)-2,3,4-triacetoxy-1-((R)-1-acetoxy-2-ethoxy-ethyl)-butyl ester (5139-22-0,5139-26-4,59921-39-0,59953-26-3,59953-39-8)

Guidance literature:

With pyridine; at 100 ℃; for 0.25h;

DOI:10.1016/0008-6215(88)85067-5

upstream raw materials:

L-O¹,O²,O³,O⁴,O⁵-pentaacetyl-O⁶-ethyl-galactitol

Downstream raw materials:

Acetic acid (1R,2R,3S)-2,3,4-triacetoxy-1-((R)-1-acetoxy-2-ethoxy-ethyl)-butyl ester

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