Tert-butyl 4-(2-methyl-4-nitrophenoxy)benzoate

Base Information

• Chemical Name: Tert-butyl 4-(2-methyl-4-nitrophenoxy)benzoate
• CAS No.: 799242-34-5
• Molecular Formula: C18H19NO5
• Molecular Weight: 0
• DSSTox Substance ID: DTXSID60701748
• Wikidata: Q82633516
• Mol file: 799242-34-5.mol

Synonyms:SCHEMBL4473752;TERT-BUTYL 4-(2-METHYL-4-NITROPHENOXY)BENZOATE;DTXSID60701748;799242-34-5

Chemical Property of Tert-butyl 4-(2-methyl-4-nitrophenoxy)benzoate

Chemical Property:

• PSA: 81.35000
• LogP: 5.17400
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 329.12632271
• Heavy Atom Count: 24
• Complexity: 445

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

TERT-BUTYL-4-(2-METHYL-4-NITROPHENOXY)BENZOATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=CC(=C1)[N+](=O)[O-])OC2=CC=C(C=C2)C(=O)OC(C)(C)C

Technology Process of Tert-butyl 4-(2-methyl-4-nitrophenoxy)benzoate

There total 2 articles about Tert-butyl 4-(2-methyl-4-nitrophenoxy)benzoate 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:

5-nitro-2-fluorotoluene (455-88-9) + tert-butyl 4-hydroxybenzoate (25804-49-3) → 4-(2-methyl-4-nitro-phenoxy)-benzoic acid tert-butyl ester (799242-34-5)

Guidance literature:

tert-butyl 4-hydroxybenzoate; With sodium hydride; In N,N-dimethyl-formamide; at 10 - 15 ℃; for 0.5h;

5-nitro-2-fluorotoluene; In N,N-dimethyl-formamide; at 20 - 60 ℃; Further stages.;

DOI:10.1016/j.bmcl.2007.03.046

Reference yield:

→ 4-(2-methyl-4-nitro-phenoxy)-benzoic acid tert-butyl ester (799242-34-5)

Guidance literature:

Reference yield:

4-(2-methyl-4-nitro-phenoxy)-benzoic acid tert-butyl ester (799242-34-5) → 4-(4-amino-2-methyl-phenoxy)-benzoic acid tert-butyl ester (799242-35-6)

Guidance literature:

With hydrogen; palladium dihydroxide; In ethanol; at 20 ℃; for 3h; under 2327.23 Torr;

DOI:10.1016/j.bmcl.2007.03.046

upstream raw materials:

5-nitro-2-fluorotoluene

tert-butyl 4-hydroxybenzoate

Downstream raw materials:

4-(4-amino-2-methyl-phenoxy)-benzoic acid tert-butyl ester

4-[4-(6-fluoro-pyrido[3,4-d]pyrimidin-4-ylamino)-2-methyl-phenoxy]-benzoic acid tert-butyl ester

4-[2-methyl-4-(6-morpholin-1-yl-pyrido[3,4-d]pyrimidin-4-ylamino)-phenoxy]-benzoic acid tert-butyl ester

4-[2-methyl-4-(6-morpholin-1-yl-pyrido[3,4-d]pyrimidin-4-ylamino)-phenoxy]-benzoic acid

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