117445-22-4

117445-22-4 - Names and Identifiers

Name	Boc-3-Aminomethylbenzoic acid
Synonyms	BOC-MAMB BOC-MAMB-OH RARECHEM EM WB 0054 6-fluoropyridin-2-amine Boc-3-Aminomethylbenzoic acid 3-(Boc-aMinoMethyl)benzoic acid 3-(BOC-AMINOMETHYL)BENZOIC ACID 3-(N-T-BUTYLOXYCARBONYLAMINOMETHYL)BENZOIC ACID 3-(TERT-BUTOXYCARBONYLAMINO-METHYL)-BENZOIC ACID 3-(TERT-BUTYLOXYCARBONYLAMINOMETHYL)-BENZOIC ACID 3-{[(tert-butoxycarbonyl)amino]methyl}benzoic acid 3-(aminomethyl)-2-(tert-butoxycarbonyl)benzoic acid
CAS	117445-22-4
EINECS	820-537-1
InChI	InChI=1/C13H17NO4/c1-13(2,3)18-12(17)10-8(7-14)5-4-6-9(10)11(15)16/h4-6H,7,14H2,1-3H3,(H,15,16)

117445-22-4 - Physico-chemical Properties

Molecular Formula	C13H17NO4
Molar Mass	251.28
Density	1.178±0.06 g/cm3(Predicted)
Boling Point	434.6±38.0 °C(Predicted)
Flash Point	213.897°C
Vapor Presure	0mmHg at 25°C
Appearance	Crystalline Powder or Flakes
Color	White to off-white
BRN	6957774
pKa	4.21±0.10(Predicted)
Storage Condition	Sealed in dry,Room Temperature
Refractive Index	1.556
MDL	MFCD00273426
Physical and Chemical Properties	Storage Conditions: Store at 0 ℃ WGK Germany:3

117445-22-4 - Risk and Safety

Safety Description	24/25 - Avoid contact with skin and eyes.
WGK Germany	3
HS Code	29242990
Hazard Class	IRRITANT

117445-22-4 - Introduction

3-(N-Boc-aminomethyl) benzoic acid is an organic compound whose chemical formula is C12H15NO4. Its properties are as follows:

1. Appearance: 3-(N-Boc-aminomethyl) benzoic acid is a colorless or white crystalline solid.
2. Solubility: It is soluble in some organic solvents, such as methanol, ethyl acetate, etc., but insoluble in water.
3. Melting point: The melting point range of 3-(N-Boc-aminomethyl) benzoic acid is usually between 90-94 degrees Celsius.

3-(N-Boc-aminomethyl) benzoic acid uses mainly include the following aspects:

1. Intermediate in organic synthesis: It is often used as an intermediate in organic synthesis and is used in the preparation of synthetic drugs, pesticides and other organic compounds.
2. protecting group: the Boc group in 3-(N-Boc-aminomethyl) benzoic acid can protect the amino group, so that the amino group does not react with other reagents, thus protecting the selective reaction of the amino group.
3. Pharmaceutical field: Because 3-(N-Boc-aminomethyl) benzoic acid plays an important role in the synthesis of organic compounds, it also has certain applications in the pharmaceutical field, such as the preparation of antibiotics.

A method for preparing 3-(N-Boc-aminomethyl) benzoic acid is as follows:

Terephthalic anhydride was reacted with Boc-methylamine to obtain 3-(N-Boc-aminomethyl) benzoic anhydride. Then, the anhydride is hydrolyzed with a base to finally obtain the target compound 3-(N-Boc-aminomethyl) benzoic acid.

Regarding the safety information of 3-(N-Boc-aminomethyl) benzoic acid, the following points should be noted:

1. prevent inhalation: operation should wear appropriate protective equipment to ensure adequate ventilation.
2. Avoid skin contact: contact with the compound should immediately rinse with plenty of water, and seek medical help.
3. Avoid eye contact: If eye contact occurs, rinse immediately with plenty of water for at least 15 minutes and seek medical help.
4. storage and handling: 3-(N-Boc-aminomethyl) benzoic acid should be stored in a dry, well-ventilated place, away from fire and flammable materials. Observe local regulations when disposing of waste.

In summary, 3-(N-Boc-aminomethyl) benzoic acid is an organic compound, which is mainly used as an intermediate and protecting group in organic synthesis, and has certain pharmaceutical applications. Safety measures should be taken during use and handling, and the compound should be stored and handled properly.

Last Update：2024-04-10 22:40:09