n-Boc-5-methylanthranilic acid

Base Information

• Chemical Name: n-Boc-5-methylanthranilic acid
• CAS No.: 669713-60-4
• Molecular Formula: C13H17NO4
• Molecular Weight: 251.282
• DSSTox Substance ID: DTXSID30373779
• Wikidata: Q82162107
• Mol file: 669713-60-4.mol

Synonyms:669713-60-4;n-boc-5-methylanthranilic acid;2-(tert-Butoxycarbonylamino)-5-methyl-benzoic acid;2-((tert-Butoxycarbonyl)amino)-5-methylbenzoic acid;5-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic Acid;Anthranilicacid,N-Boc-5-methyl;2-(tert-butoxycarbonylamino)-5-methylbenzoic acid;2-{[(tert-butoxy)carbonyl]amino}-5-methylbenzoic acid;anthranilic acid, n-boc-5-methyl;Anthranilic acid,N-boc-5-methyl;N-Boc-5-methyl-anthranilic acid;DTXSID30373779;2-(Boc-amino)-5-methylbenzoic acid;MFCD02682221;AKOS000202962;AS-36923;CS-0061286;2-(tert-butoxycarbonyl)-5-methylbenzoic acid;EN300-80545

Chemical Property of n-Boc-5-methylanthranilic acid

Chemical Property:

• Vapor Pressure: 3E-05mmHg at 25°C
• Melting Point: 165～167℃C(dec.)
• Refractive Index: 1.568
• Boiling Point: 341.9°C at 760 mmHg
• Flash Point: 160.6°C
• PSA: 75.63000
• Density: 1.212g/cm³
• LogP: 3.11320
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 251.11575802
• Heavy Atom Count: 18
• Complexity: 321

Purity/Quality:

97% ^*data from raw suppliers

2-(tert-Butoxycarbonylamino)-5-methyl-benzoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1)NC(=O)OC(C)(C)C)C(=O)O

Technology Process of n-Boc-5-methylanthranilic acid

There total 1 articles about n-Boc-5-methylanthranilic 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:

2-Amino-5-methylbenzoic acid (2941-78-8) + di-tert-butyl dicarbonate (24424-99-5) → C13H17NO4 (669713-60-4)

Guidance literature:

In N,N-dimethyl-formamide;

DOI:10.1016/j.tetlet.2009.09.024

Reference yield: 71.0%

glyoxylic acid ethyl ester (924-44-7) + C13H17NO4 (669713-60-4) + tert-butyl (2-(aminomethyl)phenyl)carbamate (849020-94-6) + rac-4-tert-butyl-cyclohexen-1-yl-isocyanide (223252-57-1) → C40H56N4O8 (1263090-57-8)

Guidance literature:

glyoxylic acid ethyl ester; tert-butyl (2-(aminomethyl)phenyl)carbamate; In dichloromethane; at 20 ℃; for 0.25h;

C₁₃H₁₇NO₄; rac-4-tert-butyl-cyclohexen-1-yl-isocyanide; In dichloromethane; 2,2,2-trifluoroethanol; at 20 ℃;

DOI:10.1016/j.tetlet.2010.06.116

Reference yield: 65.0%

glyoxylic acid ethyl ester (924-44-7) + C13H17NO4 (669713-60-4) + rac-4-tert-butyl-cyclohexen-1-yl-isocyanide (223252-57-1) + (2-amino-4,5-dimethyl-phenyl)-carbamic acid tert-butyl ester (371158-46-2) → C41H58N4O8 (1263089-77-5)

Guidance literature:

glyoxylic acid ethyl ester; (2-amino-4,5-dimethyl-phenyl)-carbamic acid tert-butyl ester; In dichloromethane; at 130 ℃; for 0.25h; Microwave irradiation;

C₁₃H₁₇NO₄; rac-4-tert-butyl-cyclohexen-1-yl-isocyanide; In dichloromethane; 2,2,2-trifluoroethanol; at 20 ℃;

DOI:10.1016/j.tetlet.2010.06.116

upstream raw materials:

2-Amino-5-methylbenzoic acid

di-tert-butyl dicarbonate

Downstream raw materials:

C₃₉H₅₄N₄O₈

C₄₀H₅₆N₄O₈

C₄₁H₅₈N₄O₈

C₁₅H₂₂N₂O₄

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