m-Nitrobenzoyl azide

Base Information

• Chemical Name: m-Nitrobenzoyl azide
• CAS No.: 3532-31-8
• Molecular Formula: C7H4 N4 O3
• Molecular Weight: 192.134
• Hs Code.: 2929909090
• European Community (EC) Number: 684-166-5
• NSC Number: 17571
• DSSTox Substance ID: DTXSID90188826
• Nikkaji Number: J2.484.459E
• Wikidata: Q83060678
• Mol file: 3532-31-8.mol

Synonyms:m-Nitrobenzoyl azide;3-nitrobenzoyl azide;3532-31-8;m-Nitrobenzazide;m-nitrobenzoylazide;Benzoyl azide, 3-nitro-;3-Nitro-benzoesaure-azid;azido-(3-nitrophenyl)methanone;azido-(3-nitrophenyl)-methanone;SCHEMBL13484152;DTXSID90188826;NSC17571;NSC 17571;NSC-17571;AKOS009453224;FT-0656838;A822731

Chemical Property of m-Nitrobenzoyl azide

Chemical Property:

• Melting Point: 68 °C
• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 112.64000
• Density: g/cm³
• LogP: 2.02126
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 192.02834000
• Heavy Atom Count: 14
• Complexity: 292

Purity/Quality:

98%min ^*data from raw suppliers

3-NITROBENZOYL AZIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 20/21/22-36/37/38-44
• Safety Statements: 15-26-37/39

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of m-Nitrobenzoyl azide

There total 10 articles about m-Nitrobenzoyl azide 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%

potassium m-nitrobenzoate (18312-48-6) → 3-nitrobenzoyl azide (3532-31-8)

Guidance literature:

With sodium azide; tetrabutylammomium bromide; O-phenyl phosphorodichloridate; In dichloromethane; for 2h; Ambient temperature;

Reference yield: 97.0%

m-nitrobenzoic acid chloride (121-90-4) → 3-nitrobenzoyl azide (3532-31-8)

Guidance literature:

With polymer-supported azide ion reagent; In chloroform; for 2h; Ambient temperature;

Reference yield: 92.0%

(1H?1,2,3?benzotriazol?1?yl)(3?nitrophenyl)methanone → 3-nitrobenzoyl azide (3532-31-8)

Guidance literature:

With sodium azide; iron(III) chloride hexahydrate; In water; acetone; at 20 ℃; for 0.166667h;

DOI:10.1080/00397911.2010.505698

upstream raw materials:

benzenediazonium sulphate

3-nitrobenzoic acid hydrazide

m-nitrobenzoic acid chloride

2,2-dibromo-1-(3-nitrophenyl)ethan-1-one

Downstream raw materials:

N-acetyl-N'-(3-nitro-phenyl)-urea

(3-nitro-phenyl)-carbamic acid propyl ester

(3-nitro-phenyl)-carbamic acid-(3,4-dimethyl-phenyl ester)

(3-nitro-phenyl)-carbamic acid-(4-nitro-phenyl ester)

Refernces

• 1、 Li, Xin-yang,Zhang, Ting-jian,Kamara, Mohamed Olounfeh,Lu, Guo-qing,Xu, Hai-li,Wang, De-pu,Meng, Fan-hao. "Discovery of N-phenyl-(2,4-dihydroxypyrimidine-5-sulfonamido) phenylurea-based thymidylate synthase (TS) inhibitor as a novel multi-effects antitumor drugs with minimal toxicity". . . Retrieved 2019/07/16.
• 2、 Sagandira, Cloudius R.,Watts, Paul. "Synthesis of Amines, Carbamates and Amides by Multi-Step Continuous Flow Synthesis". supporting information. p. 6554 - 6565. Retrieved 2017/10/09.