N-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]-2-nitrobenzamide

Base Information

• Chemical Name: N-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]-2-nitrobenzamide
• CAS No.: 5847-54-1
• Molecular Formula: C22H28 O4 Sn
• Molecular Weight: 475.172
• Hs Code.: 2916310090
• DSSTox Substance ID: DTXSID90361071
• Wikidata: Q82143198
• Mol file: 5847-54-1.mol

Synonyms:N-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]-2-nitrobenzamide;5847-54-1;Cambridge id 5847541;Oprea1_611884;DTXSID90361071;AB00099116-01;SR-01000221754;SR-01000221754-1

Chemical Property of N-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]-2-nitrobenzamide

Chemical Property:

• Boiling Point: 515.4 °C at 760 mmHg
• Flash Point: 265.5 °C
• PSA: 113.67000
• Density: 1.392 g/cm³
• LogP: 5.57110
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 389.10117059
• Heavy Atom Count: 29
• Complexity: 597

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=CC(=C1)C2=NC3=C(O2)C=CC(=C3)NC(=O)C4=CC=CC=C4[N+](=O)[O-]

Technology Process of N-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]-2-nitrobenzamide

There total 5 articles about N-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]-2-nitrobenzamide 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:

di(n-butyl)tin oxide (818-08-6) + benzoic acid (65-85-0,8013-63-6) → dibutyltin dibenzoate (5847-54-1)

Guidance literature:

In toluene; for 24h; Reflux; Dean-Stark;

DOI:10.1016/j.tetlet.2020.151983

Reference yield:

dibutylstannane (1002-53-5) + benzoic acid (65-85-0,8013-63-6) → dibutyltin dibenzoate (5847-54-1) + 1,1,2,2-Tetrabutyl-1,2-dibenzoyloxy-distannan (2777-33-5)

Guidance literature:

In not given;

DOI:10.1021/ja01507a048 DOI:10.1021/jo01050a035 DOI:10.1021/jo01049a064

Reference yield:

(C4H9)2Sn{CH2CH2OCOC6H5}2 (125610-47-1) → dibutyltin dibenzoate (5847-54-1)

Guidance literature:

In neat (no solvent); byproducts: C2H4; thermal decompn. (110°C, 2 h); Kinetics;

DOI:10.1021/om00118a073

upstream raw materials:

dibutylstannane

benzoic acid

dibenzoyl peroxide

(C₄H₉)2Sn{CH₂CH₂OCOC₆H₅}2

Downstream raw materials:

1,1,2,2-Tetrabutyl-1,2-dibenzoyloxy-distannan

4-cyclohexyl-2-phenyloxazole

4-(4-nitrophenyl)-2-phenyloxazole

4-(4-chlorophenyl)-2-phenyloxazole