ChemicalBook--->CAS DataBase List--->619-45-4

619-45-4

619-45-4 Structure

619-45-4 Structure
IdentificationMore
[Name]

Methyl 4-aminobenzoate
[CAS]

619-45-4
[Synonyms]

4-AMINOBENZOIC ACID METHYL ESTER
4-AMINO METHYL BENZOATE
LABOTEST-BB LTBB000528
METHY-4-AMINO-BENZOIC ACID
METHYL 4-AMINOBENZOATE
METHYL P-AMINOBENZOATE
TIMTEC-BB SBB004063
4-(carbomethoxyl)aniline
4-(Methoxycarbonyl)aniline
4-amino-benzoicacimethylester
4-carbomethoxyaniline
Benzoic acid, p-amino-, methyl ester
benzoicacid,4-amino-,methylester
Methyl aniline-4-carboxylate
Methyl ester of 4-aminobenzoic acid
Methyl ester of p-Aminobenzoic acid
methylaniline-4-carboxylate
p-(Methoxycarbonyl)aniline
p-Aminobenzoic acid methyl ester
p-aminobenzoicacidmethylester
[EINECS(EC#)]

210-598-7
[Molecular Formula]

C8H9NO2
[MDL Number]

MFCD00007891
[Molecular Weight]

151.16
[MOL File]

619-45-4.mol
Chemical PropertiesBack Directory
[Appearance]

white to beige crystals or crystalline powder
[Melting point ]

110-111 °C (lit.)
[Boiling point ]

273.17°C (rough estimate)
[density ]

1.2023 (rough estimate)
[refractive index ]

1.5810 (estimate)
[storage temp. ]

Keep in dark place,Sealed in dry,Room Temperature
[solubility ]

3.82g/l
[form ]

Crystals or Crystalline Powder
[pka]

pK1:2.38(+1) (25°C)
[color ]

White to beige
[Water Solubility ]

Soluble in alcohol and ether. Slightly soluble in water.
[BRN ]

775913
[InChI]

1S/C8H9NO2/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5H,9H2,1H3
[InChIKey]

LZXXNPOYQCLXRS-UHFFFAOYSA-N
[SMILES]

COC(=O)c1ccc(N)cc1
[LogP]

1.370
[CAS DataBase Reference]

619-45-4(CAS DataBase Reference)
[NIST Chemistry Reference]

Benzoic acid, 4-amino-, methyl ester(619-45-4)
[EPA Substance Registry System]

619-45-4(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H335-H315-H319
[Precautionary statements ]

P261-P280a-P304+P340-P305+P351+P338-P405-P501a-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
[Hazard Codes ]

Xi,Xn
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S37/39:Wear suitable gloves and eye/face protection .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
[WGK Germany ]

3
[RTECS ]

DG2900000
[TSCA ]

Yes
[HS Code ]

29224995
[Storage Class]

11 - Combustible Solids
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Hydrochloric acid-->Ethyl acetate-->Methanol-->Thionyl chloride-->Petroleum ether-->Sodium carbonate-->4-Aminobenzoic acid-->4-Nitrobenzoic acid
[Preparation Products]

methyl sulfamate-->4-(Butylamino)-benzoic acid, methyl ester-->4-AZIDOBENZOIC ACID-->METHYL 4-ISOCYANATOBENZOATE 98-->methyl 4-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]benzoate-->C.I. Disperse Yellow 84-->Disperse Orange 127
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

4-Aminobenzoic acid methyl ester(619-45-4).msds
Hazard InformationBack Directory
[Chemical Properties]

white to beige crystals or crystalline powder
[Uses]

Methyl 4-aminobenzoate is used in the synthesis of guanidine alkaloids, (±)-martinelline and (±)-martinellic acid by a protic acid catalyzed hetero Diels-Alder coupling reaction with N-Cbz 2-pyrroline. It is also used in organic synthesis and acts as a dye intermediate. Further, it is used to prepare 4-(2-methyl-4-oxo-4H-quinazolin-3-yl)-benzoic acid methyl ester by reacting with 2-acetylamino-benzoic acid.
[Synthesis Reference(s)]

Synthetic Communications, 26, p. 973, 1996 DOI: 10.1080/00397919608003701
Synthesis, p. 23, 1978
[General Description]

The catalytic oxidation of methyl 4-aminobenzoate by hydrogen peroxide was studied.
[Synthesis]

Methyl 4-aminobenzoate is a carboxylic acid ester derivative that can be obtained by reducing the nitro group from methyl p-nitrobenzoate.

Spectrum DetailBack Directory
[Spectrum Detail]

Methyl 4-aminobenzoate(619-45-4)MS
Methyl 4-aminobenzoate(619-45-4)1HNMR
Methyl 4-aminobenzoate(619-45-4)13CNMR
Methyl 4-aminobenzoate(619-45-4)IR1
Methyl 4-aminobenzoate(619-45-4)IR2
Methyl 4-aminobenzoate(619-45-4)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

Methyl 4-aminobenzoate, 98%(619-45-4)
[Alfa Aesar]

Methyl 4-aminobenzoate, 98%(619-45-4)
[Sigma Aldrich]

619-45-4(sigmaaldrich)
[TCI AMERICA]

Methyl 4-Aminobenzoate,>98.0%(GC)(T)(619-45-4)
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