1-Chloro-4-nitrobutane

Base Information

• Chemical Name: 1-Chloro-4-nitrobutane
• CAS No.: 41168-66-5
• Molecular Formula: C₄H₈ClNO₂
• Molecular Weight: 137.566
• DSSTox Substance ID: DTXSID10497220
• Wikidata: Q82346642
• Mol file: 41168-66-5.mol

Synonyms:1-CHLORO-4-NITROBUTANE;41168-66-5;Butane, 1-chloro-4-nitro-;1-nitro-4-chlorobutane;SCHEMBL11366612;DTXSID10497220;MFCD19232057;AKOS006384027;SY266516

Chemical Property of 1-Chloro-4-nitrobutane

Chemical Property:

• XLogP3: 1.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 137.0243562
• Heavy Atom Count: 8
• Complexity: 70.9

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CCCl)C[N+](=O)[O-]

Technology Process of 1-Chloro-4-nitrobutane

There total 1 articles about 1-Chloro-4-nitrobutane 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:

1-nitrobutane (627-05-4) → 2-chloro-1-nitro-butane (57988-25-7) + 1-nitro-3-chlorobutane (81668-02-2) + 4-chloro-1-nitrobutane (41168-66-5) + 1-chloro-1-nitro-butane (81668-01-1)

Guidance literature:

With chlorine; In tetrachloromethane; at 25 ℃; Product distribution; relative selectivity;

Reference yield:

styrene (100-42-5,25038-60-2,25247-68-1,28213-80-1,28325-75-9,79637-11-9,9003-53-6) + 4-chloro-1-nitrobutane (41168-66-5) → (2S,3aS)-2-Phenyl-hexahydro-isoxazolo[2,3-b][1,2]oxazine

Guidance literature:

With triethylamine; In dichloromethane; for 18h; Ambient temperature;

DOI:10.1016/S0040-4039(98)01903-0

Reference yield:

styrene (100-42-5,25038-60-2,25247-68-1,28213-80-1,28325-75-9,79637-11-9,9003-53-6) + 4-chloro-1-nitrobutane (41168-66-5) → 2-phenyl-hexahydro-isoxazolo[2,3-b][1,2]oxazine (31859-23-1)

Guidance literature:

Multistep reaction; (i) NaOMe, MeOH, (ii) /BRN= 1071236/, DMF;

DOI:10.1007/BF00859113

upstream raw materials:

1-nitrobutane

Downstream raw materials:

2-phenyl-hexahydro-isoxazolo[2,3-b][1,2]oxazine