(3R)-3-Amino-3-(3-nitrophenyl)propanoic acid

Basic Information

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CAS Number

787544-61-0

Molecular Formula

C9H10N2O4

Molecular Weight

210.19 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Amines

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Physical State

White to Yellow Solid

SMILES

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C1=CC(=CC(=C1)[N+](=O)[O-])C(CC(=O)O)N

InChI

InChI=1S/C9H10N2O4/c10-8(5-9(12)13)6-2-1-3-7(4-6)11(14)15/h1-4,8H,5,10H2,(H,12,13)/t8-/m1/s1

InChIKey

SJBFILRQMRECCK-MRVPVSSYSA-N

LogP

2.29280

Complexity

251

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

(r)-3-amino-3-(3-nitrophenyl)propionic acid
DTXSID10351676
R-3-Amino-3-(3-nitro-phenyl)-propionic acid
(3R)-3-amino-3-(3-nitrophenyl)propanoic acid
(r)-3-amino-3-(3-nitro-phenyl)-propanoic acid
SJBFILRQMRECCK-MRVPVSSYSA-N
(r)-3-(3-nitrophenyl)-beta-alanine
(R)- -(3-Nitrophenyl)alanine
(r)-3-amino-3-(3-nitro-phenyl)-propionic acid
h-d-beta-phe(3-no2)-oh
AKOS016842391
AS-38155
(r)-3-amino-3-(3-nitrophenyl)propionicacid
Benzenepropanoic acid, b-amino-3-nitro-, (bR)-
787544-61-0
H-Phg(3-NO2)-(C#CH2)OH
h-phg(3-no2)-(c*ch2)oh
MFCD04113660
EN300-370694
(r)-3-amino-3-(3-nitrophenyl)propanoic acid
SCHEMBL3310878
AC-25404
CS-0156986
(r)-beta-(3-nitrophenyl)alanine
(R)-3-Amino-3-(3-nitrophenyl)propionic acid
(R)-3-Amino-3-(3-nitrophenyl)propanoic acid
(R)-3-Amino-3-(3-nitrophenyl)-propionic acid
H-D-b-phe(3-NO2)-OH
(R)-?-(3-Nitrophenyl)alanine
(R)-3-AMINO-3-(3-NITRO-PHENYL)-PROPIONIC ACID

MDL Number

MFCD04113660

Customs Code

2922499990

FAQ

What are the physical and chemical properties of (3R)-3-Amino-3-(3-nitrophenyl)propanoic acid (CAS: 787544-61-0)?

(3R)-3-Amino-3-(3-nitrophenyl)propanoic acid is a white crystalline solid with a molecular weight of approximately 223.08 g/mol. It has a solubility of about 2.6 mg/mL in water and is slightly soluble in ethanol. Chemically, it is moderately reactive, particularly towards nucleophiles, and can be used in various synthetic reactions.

How is (3R)-3-Amino-3-(3-nitrophenyl)propanoic acid (CAS: 787544-61-0) typically synthesized?

(3R)-3-Amino-3-(3-nitrophenyl)propanoic acid can be synthesized via a multi-step process involving nitration of an appropriate aromatic compound followed by coupling with an amino acid. Common catalysts include sulfuric acid, and the overall yield is generally around 70-80%. This compound can also be prepared through direct amidation of a nitrobenzene derivative with an amino acid.

What industries use (3R)-3-Amino-3-(3-nitrophenyl)propanoic acid (CAS: 787544-61-0)?

(3R)-3-Amino-3-(3-nitrophenyl)propanoic acid is primarily used in pharmaceuticals for the development of novel drug candidates. It also finds applications in the synthesis of certain polymers and as a reagent in chemical sensors for detecting specific compounds. This compound's unique structure makes it valuable in various industries requiring specific chemical functionalities.

What precautions should be taken when handling (3R)-3-Amino-3-(3-nitrophenyl)propanoic acid (CAS: 787544-61-0)?

When handling (3R)-3-Amino-3-(3-nitrophenyl)propanoic acid, it is essential to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. Work should be conducted in a fume hood to minimize exposure. Spills should be cleaned up using absorbent materials, followed by rinsing with water. Always consult the Safety Data Sheet (SDS) for detailed safety information and emergency procedures.