Methyl 3-Amino-4-(Isopropylamino)Benzoate

Base Information

• Chemical Name: Methyl 3-Amino-4-(Isopropylamino)Benzoate
• CAS No.: 511240-22-5
• Molecular Formula: C11H16N2O2
• Molecular Weight: 208.26
• DSSTox Substance ID: DTXSID50371611
• Nikkaji Number: J2.618.991H
• Wikidata: Q82158999
• Mol file: 511240-22-5.mol

Synonyms:Methyl 3-Amino-4-(Isopropylamino)Benzoate;511240-22-5;methyl 3-amino-4-(propan-2-ylamino)benzoate;3-Amino-4-isopropylamino-benzoic acid methyl ester;SCHEMBL2248053;DTXSID50371611;HLELQEAHNDLXDC-UHFFFAOYSA-N;MFCD01570644;AKOS009158357;SB77730;BS-28641;CS-0206566;FT-0644772;methyl 3-amino-4-[(propan-2-yl)amino]benzoate;A828450;Methyl 3-amino-4-[(1-methylethyl)amino]benzoate;3-Amino-4-(isopropylamino)benzoic acid methyl ester;J-522131

Chemical Property of Methyl 3-Amino-4-(Isopropylamino)Benzoate

Chemical Property:

• Vapor Pressure: 1.99E-05mmHg at 25°C
• Melting Point: 104-106
• Refractive Index: 1.584
• Boiling Point: 362°Cat760mmHg
• Flash Point: 172.7°C
• PSA: 64.35000
• Density: 1.141g/cm³
• LogP: 2.52990
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 208.121177757
• Heavy Atom Count: 15
• Complexity: 219

Purity/Quality:

98%min ^*data from raw suppliers

Methyl3-amino-4-(isopropylamino)benzoate ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Methyl 3-Amino-4-(Isopropylamino)Benzoate

There total 7 articles about Methyl 3-Amino-4-(Isopropylamino)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: 84.1%

4-isopropylamino-3-nitrobenzoic acid methyl ester (234751-02-1) → 3-amino-4-isopropylaminobenzoic acid methyl ester (511240-22-5)

Guidance literature:

4-isopropylamino-3-nitrobenzoic acid methyl ester; With ammonium chloride; In ethanol; water; at 90 ℃; for 0.5h;

With iron; In ethanol; water; for 2h; Reflux;

Reference yield:

4-fluoro-3-nitro-benzoic acid methyl ester (329-59-9) → 3-amino-4-isopropylaminobenzoic acid methyl ester (511240-22-5)

Guidance literature:

Multi-step reaction with 2 steps

1: CH₂Cl₂ / 5 h / 0 - 22 °C

2: 3.9 g / H₂ / Pd/C / ethanol / 1 h / 2068.59 Torr

With hydrogen; palladium on activated charcoal; In ethanol; dichloromethane;

DOI:10.1021/jm050346q

Reference yield:

3-nitro-4-fluorobenzoic acid (453-71-4) → 3-amino-4-isopropylaminobenzoic acid methyl ester (511240-22-5)

Guidance literature:

Multi-step reaction with 4 steps

1: oxalyl chloride; N,N-dimethylformamide / CH₂Cl₂ / 16 h / 22 °C

2: 52.4 g / triethylamine / CH₂Cl₂ / 16 h / 22 °C

3: CH₂Cl₂ / 5 h / 0 - 22 °C

4: 3.9 g / H₂ / Pd/C / ethanol / 1 h / 2068.59 Torr

With oxalyl dichloride; hydrogen; triethylamine; N,N-dimethyl-formamide; palladium on activated charcoal; In ethanol; dichloromethane;

DOI:10.1021/jm050346q

upstream raw materials:

4-isopropylamino-3-nitrobenzoic acid methyl ester

3-nitro-4-fluorobenzoic acid

4-fluoro-3-nitrobenzoyl chloride

4-fluoro-3-nitro-benzoic acid methyl ester

Post a RFQ

Cas No.:

Product Name:

Quantity:

Please select Metric Ton KG G Pound L ML

Email:

Company name:

Valid Period:

Detailed Requirements:

• Sample
• MOQ
• GMP
• FDA
• Price
  FOB CIF CFR EXW
• Urgent purchase

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

Remove

Submit

1

What can I do for you?
Get Best Price

Get Best Price for 511240-22-5 METHYL 3-AMINO-4-(ISOPROPYLAMINO)BENZOATE

Send

Send

Metric Ton KG G Pound L ML

Send

Send