4'-Methoxy-5-nitro-1,1'-biphenyl-2-ol

Base Information

• Chemical Name: 4'-Methoxy-5-nitro-1,1'-biphenyl-2-ol
• CAS No.: 63801-89-8
• Molecular Formula: C13H10NO4-
• Molecular Weight: 245.235
• Hs Code.: 2909499000
• DSSTox Substance ID: DTXSID30368766
• Wikidata: Q82155564
• Mol file: 63801-89-8.mol

Synonyms:4'-methoxy-5-nitro-1,1'-biphenyl-2-ol;63801-89-8;2-(4-methoxyphenyl)-4-nitrophenol;4'-methoxy-5-nitro-[1,1'-biphenyl]-2-ol;DTXSID30368766;AKOS008968551;CS-0353911;EN300-11987;AB00734535-01;Z57982064

Chemical Property of 4'-Methoxy-5-nitro-1,1'-biphenyl-2-ol

Chemical Property:

• Boiling Point: 420.2°Cat760mmHg
• Flash Point: 207.9°C
• PSA: 75.28000
• Density: g/cm³
• LogP: 3.49920
• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 245.06880783
• Heavy Atom Count: 18
• Complexity: 283

Purity/Quality:

99% ^*data from raw suppliers

4'-Methoxy-5-nitro-[1,1'-biphenyl]-2-ol 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)C2=C(C=CC(=C2)[N+](=O)[O-])O

Technology Process of 4'-Methoxy-5-nitro-1,1'-biphenyl-2-ol

There total 11 articles about 4'-Methoxy-5-nitro-1,1'-biphenyl-2-ol 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: 27.2%

methoxybenzene (100-66-3) + C12H11N2O3(1+)*BF4(1-) → 4-nitro-phenol (100-02-7,78813-13-5,89830-32-0) + 1-methoxy-4-(4-nitrophenoxy)benzene (6337-24-2) + 4-hydroxy-3-(4-methoxyphenyl)nitrobenzene (63801-89-8) + 2-methoxyphenyl 4'-nitrophenyl ether (32795-85-0)

Guidance literature:

at 180 ℃; for 5h; Yield given. Further byproducts given. Yields of byproduct given;

DOI:10.1021/ja00405a043

Reference yield: 26.7%

N-(4-nitrophenoxy)pyridinium tetrafluoroborate + methoxybenzene (100-66-3) → 4-nitro-phenol (100-02-7,78813-13-5,89830-32-0) + 1-methoxy-4-(4-nitrophenoxy)benzene (6337-24-2) + 4-hydroxy-3-(4-methoxyphenyl)nitrobenzene (63801-89-8) + 2-hydroxy-2'-methoxy-5-nitrobiphenyl (23837-81-2) + 2-methoxyphenyl 4'-nitrophenyl ether (32795-85-0)

Guidance literature:

at 180 ℃; for 5h; Product distribution; Mechanism; further N-(p-nitrophenoxy)pyridinium salts;

DOI:10.1021/ja00405a043

Reference yield: 26.7%

N-(4-nitrophenoxy)pyridinium tetrafluoroborate + methoxybenzene (100-66-3) → 4-nitro-phenol (100-02-7,78813-13-5,89830-32-0) + 1-methoxy-4-(4-nitrophenoxy)benzene (6337-24-2) + 4-hydroxy-3-(4-methoxyphenyl)nitrobenzene (63801-89-8) + 2-methoxyphenyl 4'-nitrophenyl ether (32795-85-0)

Guidance literature:

at 180 ℃; for 5h; Yield given. Further byproducts given. Yields of byproduct given;

DOI:10.1021/ja00405a043

upstream raw materials:

methoxybenzene

3-(carbomethoxy)-1-(p-nitrophenoxy)pyridinium tetrafluoroborate

N-(4'-nitrophenoxy)-4-methylbenzenesulfonamide

O-(4-nitrophenyl)-N,N-ditosylhydroxylamine

Downstream raw materials:

5-(7-Chloro-quinolin-4-ylamino)-3-diethylaminomethyl-4'-methoxy-biphenyl-2-ol

5-(7-Chloro-1-oxy-quinolin-4-ylamino)-3-diethylaminomethyl-4'-methoxy-biphenyl-2-ol

(S)-3-[4-(6,4'-Dimethoxy-biphenyl-3-yloxy)-3,5-dinitro-phenyl]-2-(2,2,2-trifluoro-acetylamino)-propionic acid ethyl ester

(S)-2-Amino-3-[4-(6,4'-dihydroxy-biphenyl-3-yloxy)-3,5-diiodo-phenyl]-propionic acid; hydrobromide

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