Tert-butyl 4-amino-3-methoxybenzoate

Base Information

• Chemical Name: Tert-butyl 4-amino-3-methoxybenzoate
• CAS No.: 123330-92-7
• Molecular Formula: C12H17 N O3
• Molecular Weight: 223.272
• Hs Code.: 2922509090
• DSSTox Substance ID: DTXSID10600959
• Wikidata: Q82497307
• Mol file: 123330-92-7.mol

Synonyms:TERT-BUTYL 4-AMINO-3-METHOXYBENZOATE;123330-92-7;Benzoic acid, 4-amino-3-methoxy-, 1,1-dimethylethyl ester;TERT-BUTYL4-AMINO-3-METHOXYBENZOATE;SCHEMBL18113451;DTXSID10600959;MFCD08703410;AKOS016005833;SB79721;DS-17031;DB-344359;CS-0272766;F87009;EN300-6510188;A1-21782

Chemical Property of Tert-butyl 4-amino-3-methoxybenzoate

Chemical Property:

• PSA: 61.55000
• LogP: 2.81390
• Storage Temp.: 2-8°C
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 223.12084340
• Heavy Atom Count: 16
• Complexity: 247

Purity/Quality:

98%min ^*data from raw suppliers

tert-butyl4-amino-3-methoxybenzoate 95 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)C1=CC(=C(C=C1)N)OC

Technology Process of Tert-butyl 4-amino-3-methoxybenzoate

There total 4 articles about Tert-butyl 4-amino-3-methoxybenzoate 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: 95.0%

tert-Butyl 3-methoxy-4-nitrobenzoate (123330-91-6) → 4-amino-3-methoxybenzoic acid tert-butyl ester (123330-92-7)

Guidance literature:

With palladium on activated charcoal; hydrogen; In methanol; at 20 ℃; for 1h;

DOI:10.1002/chem.201704074

Reference yield:

3-methoxy-4-nitrobenzoic acid (5081-36-7) → 4-amino-3-methoxybenzoic acid tert-butyl ester (123330-92-7)

Guidance literature:

Multi-step reaction with 3 steps

1: thionyl chloride / 1 h / Heating

2: pyridine / CHCl₃ / 2 h / Heating

3: 65 percent / H₂ / 5percent Pd/C / ethyl acetate; ethanol / 5 h / Ambient temperature

With pyridine; thionyl chloride; hydrogen; palladium on activated charcoal; In ethanol; chloroform; ethyl acetate;

DOI:10.1021/ja00202a042

Reference yield:

methyl 3-methoxy-4-nitrobenzoate (5081-37-8) → 4-amino-3-methoxybenzoic acid tert-butyl ester (123330-92-7)

Guidance literature:

Multi-step reaction with 4 steps

1: aq. 1M NaOH / methanol / 0.5 h

2: thionyl chloride / 1 h / Heating

3: pyridine / CHCl₃ / 2 h / Heating

4: 65 percent / H₂ / 5percent Pd/C / ethyl acetate; ethanol / 5 h / Ambient temperature

With pyridine; sodium hydroxide; thionyl chloride; hydrogen; palladium on activated charcoal; In methanol; ethanol; chloroform; ethyl acetate;

DOI:10.1021/ja00202a042

upstream raw materials:

tert-Butyl 3-methoxy-4-nitrobenzoate

3-methoxy-4-nitrobenzoic acid

3-methoxy-4-nitrobenzoic acid chloride

methyl 3-methoxy-4-nitrobenzoate

Downstream raw materials:

tert-Butyl 4-amino>-3-methoxybenzoate

4-(Bis-methoxycarbonylmethyl-amino)-3-methoxy-benzoic acid

{Carboxymethyl-[4-(2-diazo-acetyl)-2-methoxy-phenyl]-amino}-acetic acid

tert-Butyl 4-amino>-2'-diazo-3-methoxyacetophenone

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