Boc-3-amino-4-methoxybenzoic acid

Base Information

• Chemical Name: Boc-3-amino-4-methoxybenzoic acid
• CAS No.: 306937-12-2
• Molecular Formula: C13H17 N O5
• Molecular Weight: 267.282
• Hs Code.: 2924299090
• DSSTox Substance ID: DTXSID70370843
• Wikidata: Q82158000
• Mol file: 306937-12-2.mol

Synonyms:306937-12-2;Boc-3-amino-4-methoxybenzoic acid;3-((tert-Butoxycarbonyl)amino)-4-methoxybenzoic acid;4-methoxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic Acid;3-(tert-butoxycarbonylamino)-4-methoxybenzoic acid;3-[(tert-Butoxycarbonyl)amino]-4-methoxybenzoic acid;3-(Boc-amino)-4-methoxybenzoic acid;Benzoic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-4-methoxy-;3-{[(tert-butoxy)carbonyl]amino}-4-methoxybenzoic acid;Oprea1_553316;SCHEMBL3982009;DTXSID70370843;HJRQIHYNWZEWHF-UHFFFAOYSA-N;MFCD01765428;n-boc-3-amino-4-methoxybenzoic acid;AKOS009159316;TS-00868;3-Amino-4-methoxybenzoic acid,N-BOC protected;C74578;EN300-1228760;3-((tert-Butoxycarbonyl)amino)-4-methoxybenzoicacid;[3-(tert-Butoxycarbonyl)amino-4-methoxy]benzoic acid

Chemical Property of Boc-3-amino-4-methoxybenzoic acid

Chemical Property:

• Boiling Point: 364.8±32.0 °C(Predicted)
• PKA: 4.42±0.10(Predicted)
• PSA: 84.86000
• Density: 1.243±0.06 g/cm3(Predicted)
• LogP: 2.81340
• Storage Temp.: 2-8°C
• XLogP3: 2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 267.11067264
• Heavy Atom Count: 19
• Complexity: 336

Purity/Quality:

98%min ^*data from raw suppliers

boc-3-Amino-4-methoxybenzoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)NC1=C(C=CC(=C1)C(=O)O)OC

Technology Process of Boc-3-amino-4-methoxybenzoic acid

There total 1 articles about Boc-3-amino-4-methoxybenzoic acid 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: 84.0%

di-tert-butyl dicarbonate (24424-99-5) + 3-amino-4-methoxybenzoic acid (2840-26-8) → 3-[(tert-butyloxycarbonyl)amino]-4-methoxybenzoic acid (306937-12-2)

Guidance literature:

With triethylamine; In 1,4-dioxane; water; at 5 - 20 ℃;

DOI:10.1002/1099-0690(200101)2001:2<311::AID-EJOC311>3.0.CO;2-M

Reference yield: 93.0%

benzyl bromide (100-39-0) + 3-[(tert-butyloxycarbonyl)amino]-4-methoxybenzoic acid (306937-12-2) → benzyl 3-[(tert-butyloxycarbonyl)amino]-4-methoxybenzoate (330807-52-8)

Guidance literature:

With sodium hydrogencarbonate; In N,N-dimethyl-formamide; at 20 ℃; for 48h;

DOI:10.1002/1099-0690(200101)2001:2<311::AID-EJOC311>3.0.CO;2-M

Reference yield: 60.0%

2-(N,N-dimethylamino)ethanol (108-01-0) + 3-[(tert-butyloxycarbonyl)amino]-4-methoxybenzoic acid (306937-12-2) → 2-(dimethylamino)ethyl-3-[(tert-butoxycarbonyl)amino]-4-methoxybenzoate

Guidance literature:

With dmap; dicyclohexyl-carbodiimide; In tetrahydrofuran; at 30 ℃; for 17h; Cooling with ice;

DOI:10.1016/j.ejmech.2015.08.045

upstream raw materials:

di-tert-butyl dicarbonate

3-amino-4-methoxybenzoic acid

Downstream raw materials:

benzyl 3-[(tert-butyloxycarbonyl)amino]-4-methoxybenzoate

benzyl 3-amino-4-methoxybenzoate

C₂₂H₂₈N₂O₇

3-amino-4-methoxy-N-(3,4,5-trimethoxyphenyl)benzamide

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