ChemicalBook--->CAS DataBase List--->7206-70-4

7206-70-4

7206-70-4 Structure

7206-70-4 Structure
IdentificationMore
[Name]

4-AMINO-5-CHLORO-2-METHOXYBENZOIC ACID
[CAS]

7206-70-4
[Synonyms]

4-AMINO-5-CHLORO-2-METHOXYBENZOIC ACID
4-AMINO-5-CHLORO-O-ANISIC ACID
AURORA 22274
LABOTEST-BB LT00012595
TIMTEC-BB SBB003531
4-Amino-5-Chloro-2-Methoxyl Benzoic Acid
4-Amino-5-Chloro-2-MethoxybenzoicAcid98%
4-AMINO-5-CHLORO-3-METHOXYBENZOIC ACID
[EINECS(EC#)]

230-582-3
[Molecular Formula]

C8H8ClNO3
[MDL Number]

MFCD00038794
[Molecular Weight]

201.61
[MOL File]

7206-70-4.mol
Chemical PropertiesBack Directory
[Appearance]

WHITE TO SLIGHTLY BEIGE POWDER
[Melting point ]

206 °C (dec.) (lit.)
[Boiling point ]

369.7±42.0 °C(Predicted)
[density ]

1.3639 (rough estimate)
[refractive index ]

1.5800 (estimate)
[storage temp. ]

Keep in dark place,Inert atmosphere,Room temperature
[solubility ]

DMSO (Slightly), Methanol (Slightly)
[form ]

Powder
[pka]

4.38±0.10(Predicted)
[color ]

White to slightly beige
[Major Application]

peptide synthesis
[InChI]

InChI=1S/C8H8ClNO3/c1-13-7-3-6(10)5(9)2-4(7)8(11)12/h2-3H,10H2,1H3,(H,11,12)
[InChIKey]

RVEATKYEARPWRE-UHFFFAOYSA-N
[SMILES]

C(O)(=O)C1=CC(Cl)=C(N)C=C1OC
[CAS DataBase Reference]

7206-70-4(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P264-P271-P280-P302+P352-P305+P351+P338
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
[WGK Germany ]

3
[HS Code ]

29225090
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Hazard InformationBack Directory
[Chemical Properties]

WHITE TO SLIGHTLY BEIGE POWDER
[Uses]

Metoclopramide (M338685) metabolite.
[reaction suitability]

reaction type: solution phase peptide synthesis
[Synthesis]

4-AMINO-5-CHLORO-2-ETHOXYBENZOIC ACID

20896-27-9

4-AMINO-5-CHLORO-2-METHOXYBENZOIC ACID

7206-70-4

The general procedure for the synthesis of 4-amino-5-chloro-2-methoxybenzoic acid using methyl 4-amino-5-chloro-2-methoxybenzoate as the raw material was as follows: (3) The above obtained methyl 4-amino-5-chloro-2-methoxybenzoate was mixed with potassium hydroxide at a molar ratio of 1:2.2, and stirred at reflux in a solvent mixture of 7 liters of methanol and water (in a ratio of 5:2, v/v) for more than 2 hours. Activated carbon was then added for decolorization and refluxing was continued for 30 minutes. After completion of the reaction, the activated carbon was removed by filtration. The filtrate was concentrated on a rotary evaporator to remove most of the solvent and then diluted by adding water. The pH was slowly adjusted to 5 with a 3 mol/L hydrochloric acid solution, at which point a white solid precipitated from the aqueous solution. The solid product was collected by filtration and dried to give 1.93 kg of 4-amino-5-chloro-2-methoxybenzoic acid in 91.4% yield. The structure of the product can be confirmed by hydrogen spectroscopy (Figure 1).

[References]

[1] Patent: CN105237422, 2016, A. Location in patent: Paragraph 0018; 0022
[2] Organic Preparations and Procedures International, 1992, vol. 24, # 1, p. 64 - 66
[3] Journal of Molecular Structure, 1988, vol. 172, p. 381 - 394
Spectrum DetailBack Directory
[Spectrum Detail]

4-AMINO-5-CHLORO-2-METHOXYBENZOIC ACID(7206-70-4)MS
4-AMINO-5-CHLORO-2-METHOXYBENZOIC ACID(7206-70-4)1HNMR
4-AMINO-5-CHLORO-2-METHOXYBENZOIC ACID(7206-70-4)13CNMR
4-AMINO-5-CHLORO-2-METHOXYBENZOIC ACID(7206-70-4)IR1
4-AMINO-5-CHLORO-2-METHOXYBENZOIC ACID(7206-70-4)IR2
4-AMINO-5-CHLORO-2-METHOXYBENZOIC ACID(7206-70-4)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

4-Amino-5-chloro-2-methoxybenzoic acid, 98+%(7206-70-4)
[Alfa Aesar]

4-Amino-5-chloro-2-methoxybenzoic acid, 98+%(7206-70-4)
[Sigma Aldrich]

7206-70-4(sigmaaldrich)
[TCI AMERICA]

4-Amino-5-chloro-o-anisic Acid,>97.0%(T)(7206-70-4)
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