(2S,4E)-5-Chloro-2-(1-methylethyl)-4-pentenoic acid

Basic Information

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CAS Number

324519-66-6

Molecular Formula

C8H13ClO2

Molecular Weight

176.64 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Physical Properties

Boiling Point

266 ºC

Flash Point

114 ºC

Refractive Index

1.477

SMILES

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CC(C)C(CC=CCl)C(=O)O

InChI

InChI=1S/C8H13ClO2/c1-6(2)7(8(10)11)4-3-5-9/h3,5-7H,4H2,1-2H3,(H,10,11)/b5-3+/t7-/m0/s1

InChIKey

NOPVMHYFCPFLOH-MZTFZBDOSA-N

LogP

2.4858000000000002

Topological Polar Surface Area

37.3 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

152

Synonyms & References

English

AKOS006309026
(E,2S)-5-chloro-2-propan-2-ylpent-4-enoic acid
324519-66-6
AC-8336
J-501038
(2S,4E)-5-chloro-2-isopropylpent-4-enoicacid
DTXSID50467826
CS-0363205
4-Pentenoic acid, 5-chloro-2-(1-methylethyl)-, (2S,4E)-
5-CHLORO-2-ISOPROPYL-PENT-4-ENOIC ACID
SCHEMBL2232479
BCP22242
AM20090755
SCHEMBL2232483
(2S,4E)-5-Chloro-2-(propan-2-yl)pent-4-enoic acid
(S,E)-5-Chloro-2-isopropylpent-4-enoic acid
AKOS015841546
(2S,4E)-5-CHLORO-2-(1-METHYLETHYL)-4-PENTENOIC ACID
MFCD11113211
Aliskiren inter-3
(2S,4E)-5-Chloro-2-(1-methylethyl)-4-pentenoic acid
(2S,4E)-5-Chloro-2-isopropylpent-4-enoic acid
(E)-(S)-5-Chloro-2-isopropyl-pent-4-enoic acid
(S)-(4E)-5-chloro-2-isopropyl-4-pentenoic acid
4-Pentenoicacid,5-chloro-2-(1-methylethyl)-,(2S,4E)
(E,2S)-5-chloro-2-isopropyl-pent-4-enoic acid

MDL Number

MFCD11113211

Customs Code

2924199090

FAQ

What are the physical and chemical properties of (2S,4E)-5-Chloro-2-(1-methylethyl)-4-pentenoic acid (CAS: 324519-66-6)?

(2S,4E)-5-Chloro-2-(1-methylethyl)-4-pentenoic acid is a white crystalline solid with a molecular weight of 199.61 g/mol. It is slightly soluble in water and has a pKa of around 3.9. The compound is chemically reactive, particularly towards nucleophiles and bases, and is prone to hydrolysis under basic conditions.

How is (2S,4E)-5-Chloro-2-(1-methylethyl)-4-pentenoic acid (CAS: 324519-66-6) typically synthesized?

(2S,4E)-5-Chloro-2-(1-methylethyl)-4-pentenoic acid is typically synthesized via a multi-step process involving the epoxidation of a terminal alkene followed by ring-opening with hydrochloric acid. The reaction is carried out in a solvent such as dichloromethane, with a suitable catalyst to promote the reaction selectively.

What industries use (2S,4E)-5-Chloro-2-(1-methylethyl)-4-pentenoic acid (CAS: 324519-66-6)?

(2S,4E)-5-Chloro-2-(1-methylethyl)-4-pentenoic acid is used in the pharmaceutical industry for the synthesis of certain drug intermediates. It may also find applications in the polymer industry for the modification of polymers and in the development of sensors and semiconductors.

What precautions should be taken when handling (2S,4E)-5-Chloro-2-(1-methylethyl)-4-pentenoic acid (CAS: 324519-66-6)?

When handling (2S,4E)-5-Chloro-2-(1-methylethyl)-4-pentenoic acid, it is important to wear appropriate personal protective equipment (PPE) such as gloves, safety goggles, and a lab coat. Work within a fume hood to minimize exposure. Spills should be cleaned up with caution using absorbent materials and appropriate chemical spill kits. Always consult the material safety data sheet (MSDS) for detailed safety information.