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Cas Database |
| Name |
4-(Methylamino)benzoicacid |
EINECS | 234-121-7 |
| CAS No. | 10541-83-0 | Density | 1.244 g/cm3 |
| PSA | 49.33000 | LogP | 1.49950 |
| Solubility | N/A | Melting Point |
160-162 °C(lit.) |
| Formula | C8H9NO2 | Boiling Point | 321.6 °C at 760mmHg |
| Molecular Weight | 151.165 | Flash Point | 148.3 °C |
| Transport Information | N/A | Appearance | white to beige powder |
| Safety | 36/37-37/39-26-61 | Risk Codes | 22-43-36/37/38-51/53-40 |
| Molecular Structure |
|
Hazard Symbols |
 Xn,  Xi,  N
|
| Synonyms |
Benzoicacid, p-(methylamino)- (6CI,7CI,8CI);4-(Methylamino)benzoic acid;4-(N-Methylamino)benzoic acid;N-Methyl-4-aminobenzoic acid;NSC 102506;p-(Methylamino)benzoic acid;p-Carboxy-N-methylaniline; |
Article Data | 36 |
4-(Methylamino)benzoicacid Synthetic route
- 619-84-1
p-N,N-dimethylaminobenzoic acid
- 10541-83-0
N-methyl-p-aminobenzoic acid
| Conditions | Yield |
|---|---|
| Stage #1: p-N,N-dimethylaminobenzoic acid With 1,4-diaza-bicyclo[2.2.2]octane; rose bengal; acetic acid In acetonitrile at 20℃; for 2h; Flow reactor; Irradiation; Stage #2: With sulfuric acid In methanol; water at 20℃; for 12h; | 96% |
| Conditions | Yield |
|---|---|
| With copper In water at 100℃; for 12h; Ullmann reaction; | 93.3% |
- 62001-43-8
4-(benzotriazol-1-ylmethyl-amino)-benzoic acid
- 10541-83-0
N-methyl-p-aminobenzoic acid
| Conditions | Yield |
|---|---|
| With sodium tetrahydroborate In tetrahydrofuran for 0.333333h; Heating; | 91% |
- 150-13-0
4-amino-benzoic acid
- 77-78-1
dimethyl sulfate
A
- 10541-83-0
N-methyl-p-aminobenzoic acid
B
- 18358-63-9
methyl 4-(N-methyl)aminobenzoate
C
- 619-45-4
4-methoxycarbonyl aniline
| Conditions | Yield |
|---|---|
| With lithium hydroxide In tetrahydrofuran for 2h; Methylation; esterification; Heating; | A 10 % Spectr. B 5 % Spectr. C 76% |
- 10541-83-0
N-methyl-p-aminobenzoic acid
| Conditions | Yield |
|---|---|
| With hydrogenchloride; water Heating / reflux; | 74% |
| With hydrogenchloride at 90 - 92℃; for 4.5h; | 64.2% |
- 150-13-0
4-amino-benzoic acid
- 616-38-6
carbonic acid dimethyl ester
A
- 10541-83-0
N-methyl-p-aminobenzoic acid
B
- 619-84-1
p-N,N-dimethylaminobenzoic acid
| Conditions | Yield |
|---|---|
| With sodium-exchanged Y-zeolite at 130℃; for 9h; | A 74% B n/a |
- 150-13-0
4-amino-benzoic acid
- 616-38-6
carbonic acid dimethyl ester
- 10541-83-0
N-methyl-p-aminobenzoic acid
| Conditions | Yield |
|---|---|
| NaY-faujasite at 130℃; for 9h; | 74% |
| Conditions | Yield |
|---|---|
| With copper In water at 100℃; for 48h; Ullmann reaction; | 56.4% |
- 6911-87-1
4-bromo-N-methylaniline
- 10541-83-0
N-methyl-p-aminobenzoic acid
| Conditions | Yield |
|---|---|
| With n-butyllithium; diethyl ether anschliessend Behandeln mit Kohlendioxid; |
- 150-13-0
4-amino-benzoic acid
- 77-78-1
dimethyl sulfate
A
- 10541-83-0
N-methyl-p-aminobenzoic acid
B
- 619-84-1
p-N,N-dimethylaminobenzoic acid
| Conditions | Yield |
|---|---|
| With aqueous alkali |
4-(Methylamino)benzoicacid Specification
The IUPAC name of Benzoic acid,4-(methylamino)- is 4-(methylamino)benzoic acid. With the CAS registry number 10541-83-0 and EINECS 234-121-7, it is also named as N-Methyl-4-aminobenzoic acid. The product's categories are Carboxylic Acid; Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts; Benzoic Acid; Aromatic Amino Acids; Peptide Synthesis; Unnatural Amino Acid Derivatives. It is white to beige powder which should be sealed in the container and stored in the cool and dry place.
The other characteristics of this product can be summarized as: (1)XLogP3: 2.2; (2)H-Bond Donor: 2; (3)H-Bond Acceptor: 3; (4)Rotatable Bond Count: 2; (5)Tautomer Count: 3; (6)Exact Mass: 151.063329; (7)MonoIsotopic Mass: 151.063329; (8)Topological Polar Surface Area: 49.3; (9)Heavy Atom Count: 11; (10)Formal Charge: 0; (11)Complexity: 139; (12)Covalently-Bonded Unit Count: 1.
Preparation of Benzoic acid,4-(methylamino)-: It can be obtained by 4-(benzotriazol-1-ylmethyl-amino)-benzoic acid. This reaction needs reagent NaBH4 and solvent tetrahydrofuran by heating. The reaction time is 20 min. The yield is 90%.
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Uses of Benzoic acid,4-(methylamino)-: It can react with methanol to get 4-methylamino-benzoic acid methyl ester. This reaction needs reagent p-toluenesulfonic acid monohydrate by heating. The reaction time is 72 hours. The yield is 100%.
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When you are using this chemical, please be cautious about it as the following:
It is not only harmful if swallowed, but also irritating to eyes, respiratory system and skin. And it has limited evidence of a carcinogenic effect. What's more, this chemical is toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing, gloves and eye/face protection. Avoid release to the environment. Refer to special instructions / safety data sheets.
People can use the following data to convert to the molecule structure.
1.Smiles:CNc1ccc(cc1)C(O)=O
2. InChI:InChI=1/C8H9NO2/c1-9-7-4-2-6(3-5-7)8(10)11/h2-5,9H,1H3,(H,10,11)
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