2-({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)benzoic acid

Basic Information

View in Editor

CAS Number

68790-38-5

Molecular Formula

C12H15NO4

Molecular Weight

237.26 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

153-156 °C (dec.)

Density

1.242±0.06 g/cm3 (20 ºC 760 Torr),

SMILES

View in Editor

CC(C)(C)OC(=O)NC1=CC=CC=C1C(=O)O

InChI

InChI=1S/C12H15NO4/c1-12(2,3)17-11(16)13-9-7-5-4-6-8(9)10(14)15/h4-7H,1-3H3,(H,13,16)(H,14,15)

InChIKey

BYGHHEDJDSLEKK-UHFFFAOYSA-N

LogP

2.7318000000000007

Topological Polar Surface Area

75.63 Å²

Hydrogen Bond Donor/Acceptor

2 / 5

Complexity

295

Safety Information

View Safety Information

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

Oprea1_475362
SY064902
CHEMBL4794188
HMS1617M13
Boc-Abz-OH
MFCD00151862
EN300-52955
SR-01000086404
boc-anthranilic acid
2-({[(1,1-dimethylethyl)oxy]carbonyl}amino)benzoic acid
2-((tert-butoxycarbonyl)amino)benzoic acid
Boc-2-aminobenzoic acid
Z285919508
2-(tert-butoxycarbonylamino)benzoic acid
N-(t-butoxycarbonyl)-2-aminobenzoic acid
N-(tert-butyloxycarbonyl)-aminobenzoic acid
DTXSID60399169
2-(T-BUTYLOXYCARBONYLAMINO)-BENZOIC ACID
AKOS000169402
2-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic Acid
SR-01000086404-1
2-(Boc-amino)-benzoic acid
68790-38-5
AS-56361
FT-0679789
t-butoxycarbonyl anthranilic acid
2-(Boc-amino)benzoic acid
SCHEMBL222446
CS-W010311
2-tert-Butoxycarbonylamino-benzoic acid
AB8309

MDL Number

MFCD00151862

Customs Code

2924299090

FAQ

What are the physical and chemical properties of 2-({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)benzoic acid (CAS: 68790-38-5)?

2-({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)benzoic acid (CAS: 68790-38-5) is a crystalline solid with a molecular weight of approximately 298.33 g/mol. It has a low water solubility and is reactive towards bases, forming the corresponding sodium salt. It exhibits acidity due to its carboxylic acid group. This compound is stable under normal conditions but should be stored in a cool, dark place to prevent degradation.

How is 2-({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)benzoic acid (CAS: 68790-38-5) typically synthesized?

2-({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)benzoic acid (CAS: 68790-38-5) can be synthesized via direct condensation of 2-methyl-2-propanol with 2-amino-3-carboxybenzoyl chloride. This method involves the generation of an acyl chloride from the carboxylic acid, followed by an intramolecular esterification reaction. The reaction is typically performed under anhydrous conditions and at room temperature.

What industries use 2-({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)benzoic acid (CAS: 68790-38-5)?

2-({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)benzoic acid (CAS: 68790-38-5) is primarily used in the pharmaceutical and chemical industries. It serves as a key intermediate in the synthesis of various pharmaceutical compounds and as a building block in polymer chemistry. Its use in sensor technology and semiconductor manufacturing is also being explored due to its functional groups.

What precautions should be taken when handling 2-({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)benzoic acid (CAS: 68790-38-5)?

When handling 2-({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)benzoic acid (CAS: 68790-38-5), it is essential to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. This compound should be used in a well-ventilated area or inside a fume hood. Spills should be cleaned up with care, using appropriate absorbent material and disposing of waste according to local regulations. Always consult the Safety Data Sheet (SDS) for detailed safety information.