Benzene, 1-[(cyclopropylmethyl)thio]-2,4-dinitro-

Base Information

• Chemical Name: Benzene, 1-[(cyclopropylmethyl)thio]-2,4-dinitro-
• CAS No.: 36635-41-3
• Molecular Formula: C10H10N2O4S
• Molecular Weight: 254.266
• DSSTox Substance ID: DTXSID10434231
• Wikidata: Q82248581
• Mol file: 36635-41-3.mol

Synonyms:36635-41-3;Benzene, 1-[(cyclopropylmethyl)thio]-2,4-dinitro-;SCHEMBL11607915;DTXSID10434231

Chemical Property of Benzene, 1-[(cyclopropylmethyl)thio]-2,4-dinitro-

Chemical Property:

• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 254.03612798
• Heavy Atom Count: 17
• Complexity: 310

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC1CSC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Technology Process of Benzene, 1-[(cyclopropylmethyl)thio]-2,4-dinitro-

There total 4 articles about Benzene, 1-[(cyclopropylmethyl)thio]-2,4-dinitro- 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: 38.0%

2,4-dinitrobenzenesulfenyl chloride (528-76-7) → cyclopropylmethyl 2,4-dinitrophenyl sulphide (36635-41-3)

Guidance literature:

In acetic acid; at 100 ℃; for 2h;

Reference yield:

2,4-dinitrobenzenesulfenyl chloride (528-76-7) + 3-butenyltributylstannane (36635-36-6) → cyclopropylmethyl 2,4-dinitrophenyl sulphide (36635-41-3)

Guidance literature:

In acetic acid;

DOI:10.1016/S0022-328X(00)85640-5

Reference yield:

1-chloro-2,4-dinitro-benzene (97-00-7) + Dithiocarbonic acid S-cyclopropylmethyl ester S-methyl ester → cyclopropylmethyl 2,4-dinitrophenyl sulphide (36635-41-3)

Guidance literature:

With ethanolamine; Multistep reaction; 1.) EtOH, 70 deg C, 2.) EtOH, RT, overnight;

DOI:10.1248/cpb.40.2654

upstream raw materials:

2,4-dinitrobenzenesulfenyl chloride

3-butenyltributylstannane

1-chloro-2,4-dinitro-benzene

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