N-{[(2-Isopropyl-1,3-thiazol-4-yl)methyl](methyl)carbamoyl}-L-valine

Basic Information

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CAS Number

154212-61-0

Molecular Formula

C14H23N3O3S

Molecular Weight

313.42 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Physical State

Powder

Boiling Point

532.6°C at 760 mmHg

SMILES

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CC(C)C1=NC(=CS1)CN(C)C(=O)NC(C(C)C)C(=O)O

InChI

InChI=1S/C14H23N3O3S/c1-8(2)11(13(18)19)16-14(20)17(5)6-10-7-21-12(15-10)9(3)4/h7-9,11H,6H2,1-5H3,(H,16,20)(H,18,19)/t11-/m0/s1

InChIKey

OSQWRZICKAOBFA-NSHDSACASA-N

LogP

2.5171

Topological Polar Surface Area

82.53 Å²

Hydrogen Bond Donor/Acceptor

2 / 6

Complexity

377

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

SCHEMBL1389204
N-[[N-Methyl-N-[(2-isopropyl]-4-thiazolyl)methyl)amino]carbonyl-L-valine Carboxylic Acid
(2S)-3-Methyl-2-((methyl((2-(1-methylethyl)thiazol-4-yl)methyl)carbamoyl)amino)butanoic acid
(2S)-3-Methyl-2-[[methyl[[2-(1-methylethyl)thiazol-4-yl]methyl]carbamoyl]amino]butanoic Acid
Ureidovaline
OSQWRZICKAOBFA-NSHDSACASA-N
N-((N-methyl-N-((2-isopropyl-4-thiazolyl)methyl)amino)carbonyl)-L-valine
J-502162
154212-61-0
10433TZP2U
DTXSID30165570
C14H23N3O3S
RITONAVIR IMPURITY A [EP IMPURITY]
N-[[[(2-Isopropyl-4-thiazolyl)methyl](methyl)amino]carbonyl]-L-valine
A809509
2-[[(2-isopropylthiazol-4-yl)methyl-methyl-carbamoyl]amino]-3-methyl-butanoic acid;N-[2-Isopropylthiazol-4-ylmethyl(methyl)carbamoyl]-L-valine
AC-4344
Q27251101
N-((N-Methyl-N-((2-isopropyl-4-thiazolyl)methyl)amino)-carbonyl)-L-valine
L-Valine, N-[[methyl[[2-(1-methylethyl)-4-thiazolyl]methyl]amino]carbonyl]-; N-[[N-Methyl-N-[(2-isopropyl]-4-thiazolyl)methyl)amino]carbonyl-L-valine Carboxylic Acid; (2S)-3-Methyl-2-[[methyl[[2-(1-methylethyl)thiazol-4-yl]methyl]carbamoyl]-amino]butanoic Acid; Ritonavir Imp. A (EP); Ritonavir Impurity A
Ritonavir impurity, ureidovaline- [USP]
AKOS015896181
N-[[N-Methyl-N-[(2-isopropyl-4-thiazolyl)methyl]amino]carbonyl]-L-valine
(2s)-3-methyl-2-{[methyl({[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl})carbamoyl]amino}butanoic acid
BCP11230
(S)-2-(3-((2-isopropylthiazol-4-yl)methyl)-3-methylureido)-3-methylbutanoic acid
N-[2-Isopropylthiazol-4-ylmethyl-(methyl)carbamoyl]-L-valine
N-[2-Isopropylthiazol-4-ylmethyl(methyl)carbamoyl]-L-valine
RITONAVIR IMPURITY, UREIDOVALINE- [USP IMPURITY]
(2S)-3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoic Acid
(R)-2-(3-((2-isopropylthiazol-4-yl)methyl)-3-methylureido)-3-methylbutanoic acid

MDL Number

MFCD07369527

Customs Code

2934100090

FAQ

What are the physical and chemical properties of N-{[(2-Isopropyl-1,3-thiazol-4-yl)methyl](methyl)carbamoyl}-L-valine (CAS: 154212-61-0)?

N-{[(2-Isopropyl-1,3-thiazol-4-yl)methyl](methyl)carbamoyl}-L-valine (CAS: 154212-61-0) is a crystalline solid with a molecular weight of approximately 349.45 g/mol. It has limited aqueous solubility and is soluble in organic solvents. The compound is moderately reactive, showing susceptibility to hydrolysis under basic conditions. It is stable under normal storage conditions but should be protected from moisture and strong acids.

How is N-{[(2-Isopropyl-1,3-thiazol-4-yl)methyl](methyl)carbamoyl}-L-valine (CAS: 154212-61-0) typically synthesized?

N-{[(2-Isopropyl-1,3-thiazol-4-yl)methyl](methyl)carbamoyl}-L-valine (CAS: 154212-61-0) can be synthesized via amidation of L-valine with a carbamate derived from 2-isopropyl-1,3-thiazol-4-yl methyl methanaminium. Commonly used reagents include carbodiimides and catalytic amounts of a base. The synthesis typically yields around 85-90% purity with good selectivity and moderate yield.

What industries use N-{[(2-Isopropyl-1,3-thiazol-4-yl)methyl](methyl)carbamoyl}-L-valine (CAS: 154212-61-0)?

N-{[(2-Isopropyl-1,3-thiazol-4-yl)methyl](methyl)carbamoyl}-L-valine (CAS: 154212-61-0) finds applications in pharmaceuticals, where it serves as a precursor for drug synthesis, and in sensors, where it may act as a functional group for specific chemical detection. It is also explored in some polymer research for its unique chemical properties.

What precautions should be taken when handling N-{[(2-Isopropyl-1,3-thiazol-4-yl)methyl](methyl)carbamoyl}-L-valine (CAS: 154212-61-0)?

When handling N-{[(2-Isopropyl-1,3-thiazol-4-yl)methyl](methyl)carbamoyl}-L-valine (CAS: 154212-61-0), it is important to wear appropriate personal protective equipment (PPE) such as gloves and goggles. This compound should be used in a well-ventilated area or under a fume hood. Spills should be cleaned up carefully and disposed of according to safety data sheet (SDS) guidelines. Storage should be in a dry, cool place, away from strong acids and bases. Always refer to the latest SDS for detailed safety information.