Benzyl hydrogen [3-(2-chloro-4-nitrophenoxy)propyl]carbonimidate

Base Information

• Chemical Name: Benzyl hydrogen [3-(2-chloro-4-nitrophenoxy)propyl]carbonimidate
• CAS No.: 25313-19-3
• Molecular Formula: C₁₇H₁₇ClN₂O₅
• Molecular Weight: 364.785
• NSC Number: 123515
• DSSTox Substance ID: DTXSID80948153
• Wikidata: Q82925940
• ChEMBL ID: CHEMBL2131894
• Mol file: 25313-19-3.mol

Synonyms:MLS002707307;25313-19-3;NSC123515;CHEMBL2131894;DTXSID80948153;Benzyl hydrogen [3-(2-chloro-4-nitrophenoxy)propyl]carbonimidate;NSC-123515;SMR001574699

Chemical Property of Benzyl hydrogen [3-(2-chloro-4-nitrophenoxy)propyl]carbonimidate

Chemical Property:

• Vapor Pressure: 2.29E-12mmHg at 25°C
• Boiling Point: 555.2°Cat760mmHg
• Flash Point: 289.6°C
• Density: 1.32g/cm³
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 8
• Exact Mass: 364.0825993
• Heavy Atom Count: 25
• Complexity: 426

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)COC(=O)NCCCOC2=C(C=C(C=C2)[N+](=O)[O-])Cl

Technology Process of Benzyl hydrogen [3-(2-chloro-4-nitrophenoxy)propyl]carbonimidate

There total 1 articles about Benzyl hydrogen [3-(2-chloro-4-nitrophenoxy)propyl]carbonimidate 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:

2-chloro-4-nitrophenol (619-08-9) + benzyl N-(3-bromopropyl)carbamate (39945-54-5) → N-(Carbobenzoxy)-3-(2-chlor-4-nitrophenoxy)-propylamin (25313-19-3)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide;

DOI:10.1021/jm00304a025

Reference yield:

N-(Carbobenzoxy)-3-(2-chlor-4-nitrophenoxy)-propylamin (25313-19-3) → 1-<3-(3-Fluorsulfonyl-phenylsulfonamido)-propoxy>-2-chlor-4-nitro-benzol (25313-26-2)

Guidance literature:

Multi-step reaction with 2 steps

1: HBr, AcOH

2: tetrahydrofuran

With hydrogen bromide; acetic acid; In tetrahydrofuran;

DOI:10.1021/jm00304a025

Reference yield:

N-(Carbobenzoxy)-3-(2-chlor-4-nitrophenoxy)-propylamin (25313-19-3) → 1-<3-(4-Fluorsulfonyl-phenylsulfonamido)-propoxy>-2-chlor-4-nitro-benzol (25313-27-3)

Guidance literature:

Multi-step reaction with 2 steps

1: HBr, AcOH

2: tetrahydrofuran

With hydrogen bromide; acetic acid; In tetrahydrofuran;

DOI:10.1021/jm00304a025

upstream raw materials:

2-chloro-4-nitrophenol

benzyl N-(3-bromopropyl)carbamate

Downstream raw materials:

3-(2-Chloro-4-nitro-phenoxy)-propylamine

1-<3-(4-Fluorsulfonyl-benzamido)-propoxy>-2-chlor-4-nitro-benzol

1-<3-(3-Fluorsulfonyl-benzamido)-propoxy>-2-chlor-4-nitro-benzol

1-<3-(4-Fluorsulfonyl-phenylureido)-propoxy>-2-chlor-4-nitro-benzol