Dimethyl 4-aminophthalate

Base Information

• Chemical Name: Dimethyl 4-aminophthalate
• CAS No.: 51832-31-6
• Molecular Formula: C10H11 N O4
• Molecular Weight: 209.202
• Hs Code.: 2922499990
• European Community (EC) Number: 257-460-2
• NSC Number: 41699
• UNII: PRN7CAV7ZX
• DSSTox Substance ID: DTXSID80199789
• Nikkaji Number: J89.650K
• Mol file: 51832-31-6.mol

Synonyms:Dimethyl 4-aminophthalate;51832-31-6;1,2-Dimethyl 4-aminophthalate;dimethyl 4-aminobenzene-1,2-dicarboxylate;4-aminophthalic acid dimethyl ester;1,2-Benzenedicarboxylic acid, 4-amino-, dimethyl ester;AI3-14780;EINECS 257-460-2;4-amino-phthalic acid dimethyl ester;MFCD00017197;NSC-41699;Phthalic acid, 4-amino-, dimethyl ester;dimethyl4-aminophthalate;1,2-dimethyl 4-aminobenzene-1,2-dicarboxylate;4-Aminophthalic acid, dimethyl ester;1,2-Benzenedicarboxylic acid, 4-amino-, 1,2-dimethyl ester;PRN7CAV7ZX;Dimethyl 4-aminophthalate #;SCHEMBL1403643;4-Amino-phthalsaeuredimethylester;DTXSID80199789;NSC41699;NSC 41699;4-Amino-phthalic acid, dimethyl ester;AKOS005064536;AS-6343;SB78677;methyl 2-methoxycarbonyl-4-aminobenzoate;SY058525;CS-0197256;EN300-95157;AE-848/01020055;Z1079174180

Chemical Property of Dimethyl 4-aminophthalate

Chemical Property:

• Vapor Pressure: 5.25E-05mmHg at 25°C
• Boiling Point: 347.8°C at 760 mmHg
• PKA: 1.32±0.10(Predicted)
• Flash Point: 174.5°C
• PSA: 78.62000
• Density: 1.248g/cm³
• LogP: 1.42320
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 209.06880783
• Heavy Atom Count: 15
• Complexity: 254

Purity/Quality:

98% min ^*data from raw suppliers

1,2-Dimethyl4-aminophthalate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Total 1 MSDS from other Authors

Useful:

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

Technology Process of Dimethyl 4-aminophthalate

There total 7 articles about Dimethyl 4-aminophthalate 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: 100.0%

methanesulfonic acid (75-75-2,98527-29-8) + 4-nitrophthalic acid (610-27-5) → 4-amino-phthalic acid dimethyl ester (51832-31-6)

Guidance literature:

methanesulfonic acid; 4-nitrophthalic acid; In methanol; Reflux;

With palladium on activated charcoal; hydrogen; In methanol; water; at 37 ℃; for 9h;

Reference yield: 97.0%

dimethyl 4-nitrophthalate (610-22-0) → 4-amino-phthalic acid dimethyl ester (51832-31-6)

Guidance literature:

With hydrogen; palladium 10% on activated carbon; In ethyl acetate; under 2585.81 Torr;

Reference yield:

hydrogenchloride (7647-01-0,15364-23-5) + dimethyl 4-nitrophthalate (610-22-0) → 4-amino-phthalic acid dimethyl ester (51832-31-6)

Guidance literature:

upstream raw materials:

dimethyl 4-nitrophthalate

hydrogenchloride

4-nitrophthalic acid

methanol

Downstream raw materials:

dimethyl 4-(dibenzylamino)benzene-1,2-dicarboxylate

(R)-5-amino-1,3-dihydrospiro[indene-2,3’-pyrrolo[2,3-b]pyridin]-2’(1’H)-one

[3H]-MK 3207

[4-(dibenzylamino)-2-(hydroxymethyl)phenyl]methanol

Refernces

• 1、 -. "Protein quantitative labeling reagent and preparation method and application thereof". Paragraph 0052-0053; 0059-0065. . Retrieved 2020/04/17.
• 2、 -. "HETEROCYCLIC SPIRO-COMPOUNDS AS AM2 RECEPTOR INHIBITORS". Page/Page column 148; 161. . Retrieved 2020/06/05.