13511-38-1

Basic information

• Product Name: 3-CHLORO-2,2-DIMETHYLPROPIONIC ACID
• Synonyms: beta-Chloro-alpha,alpha-dimethylpropionic acid;beta-Chloropivalic acid;Chloropivalic acid;Chlorotrimethylacetic acid;Propionic acid, 3-chloro-2,2-dimethyl-;3-chloro-2,2-dimethylpropaneoic acid;3-CHLOROPIVALIC ACID 99%;β-Chloropivalic acid, 3-Chloropivalic acid
• CAS NO: 13511-38-1
• Molecular Formula: C₅H₉ClO₂
• Molecular Weight: 136.58
• EINECS: 236-848-5
• Mol File: 13511-38-1.mol

Chemical Properties

• Melting Point: 41-43 °C(lit.)
• Boiling Point: 215 °C(lit.)
• Flash Point: >230 °F
• Appearance: /
• Density: 1.1418 (rough estimate)
• Vapor Pressure: 0.0584mmHg at 25°C
• Refractive Index: 1.4445 (estimate)
• Storage Temp.: Sealed in dry,Room Temperature
• PKA: 4.12±0.10(Predicted)
• BRN: 1747015
• CAS DataBase Reference: 3-CHLORO-2,2-DIMETHYLPROPIONIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 3-CHLORO-2,2-DIMETHYLPROPIONIC ACID(13511-38-1)
• EPA Substance Registry System: 3-CHLORO-2,2-DIMETHYLPROPIONIC ACID(13511-38-1)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36
• RIDADR: UN 3261 8/PG 3
• WGK Germany: 3
• HazardClass: 8
• PackingGroup: III
• Hazardous Substances Data: 13511-38-1(Hazardous Substances Data)

Usage

Chemical Properties

WHITE TO LIGHT YELLOW-BEIGE CRYSTALLINE POWDER

InChI:InChI=1/C5H9ClO2/c1-5(2,3-6)4(7)8/h3H2,1-2H3,(H,7,8)/p-1

Upstream product

• 35039-88-4 1,4-dichloro-3,3-dimethyl-butan-2-one 
• 75-98-9 Trimethylacetic acid 
• 563-47-3 3-Chloro-2-methylpropene 
• 7782-50-5 chlorine 
• 56-23-5 tetrachloromethane 
• 7791-25-5 sulfuryl dichloride 
• 94-36-0 dibenzoyl peroxide 
• 1384980-44-2 N-[3-chloro-2,2-dimethylpropanoyl]-S-methyl-S-2-pyridylsulfoximine 
• 1384980-42-0 N-[2,2-dimethylpropanoyl]-S-methyl-S-2-pyridylsulfoximine 
• 201230-82-2 carbon monoxide 

Downstream Products

• 21491-96-3 methyl 3-chloro-2,2-dimethylpropionate 
• 71404-93-8 O-benzyl-β-chloropivalohydroxamic acid 
• 4300-97-4 3-Chloropivaloyl chloride 
• 27943-35-7 2,2-dimethyl-3-(phenylthio)propionic acid 
• 36038-79-6 3-(benzylthio)-2,2-dimethylpropanoic acid 
• 35040-68-7 2,2-dimethyl-3-mercaptopropanoic acid 
• 20215-55-8 dihydro-3,3-dimethyl-5-phenylfuran-2(3H)-one 
• 77415-39-5 5-Phenyl-3,3,5-trimethyl-4,5-dihydro-2(3H)-furanone 
• 124-38-9 carbon dioxide 
• 115-11-7 isobutene 
• 55168-40-6 5-hydroxy-3,3,6,6-tetramethylthiepan-4-one 
• 128620-82-6 SA₃₄₄₃ 
• 124775-81-1 3-benzylthio-2,2-dimethylpropanoic chloride 
• 124775-73-1 S-benzyl-N-(3-benzylthio-2,2-dimethylpropionyl)-D-cysteine 

Relevant articles and documents

Purification method of intermediate 4,4-dimethyl isoxazole-3-ketone

The invention discloses a purification method of an intermediate 4,4-dimethyl isoxazole-3-one, which comprises the following steps: washing a 4,4-dimethyl isoxazole-3-one reaction solution with pure water until the pH value of the oil phase of the reaction solution is 7.5-9.0, dissolving with alcohol, distilling, refluxing, acidifying, crystallizing and filtering to obtain the solid 4,4-dimethyl isoxazole-3-one with a purity of 99.5% or above. The purification process is simple, the post-treatment is highly operable, the key technical problems of low product purity, difficulty in refining andinfluence on the purity of the subsequent product clomazone in the original 4,4-dimethyl isoxazole-3-ketone preparation technology are solved, and the purification process conforms to the concept of green economic cycle.

Visible Light-Induced Oxidative Chlorination of Alkyl sp3 C-H Bonds with NaCl/Oxone at Room Temperature

A visible light-induced monochlorination of cyclohexane with sodium chloride (5:1) has been successfully accomplished to afford chlorocyclohexane in excellent yield by using Oxone as the oxidant in H2O/CF3CH2OH at room temperature. Other secondary and primary alkyl sp3 C-H bonds of cycloalkanes and functional branch/linear alkanes can also be chlorinated, respectively, under similar conditions. The selection of a suitable organic solvent is crucial in these efficient radical chlorinations of alkanes in two-phase solutions. It is studied further by the achievement of high chemoselectivity in the chlorination of the benzyl sp3 C-H bond or the aryl sp2 C-H bond of toluene.

Sulfoximine assisted Pd(II)-catalyzed bromination and chlorination of primary β-C(sp3)-H bond

S-Methyl-S-2-pyridyl-sulfoximine (MPyS) directed bromination and chlorination of the 1°-β-C(sp3)-H bond of MPyS-N-amides is realized under the influence of N-Br/Cl-phthalimides and a Pd(II)-catalyst. The sequential halogenation and acetoxylation of α-dimethyl MPyS-N-amides constructs highly functionalized α-trisubstituted aliphatic acid derivatives. The MPyS directing group is cleaved from the halogenated products and recovered. (Chemical Equation Presented).

Pyridylthio-acylanilide herbicides

Novel herbicidally active pyridylthio-acylanilides of the formula STR1 in which R1, R2 and R3, independently of one another, represent hydrogen, halogen, cyano or trifluoromethyl or alkyl, alkoxy and alkylthio having 1 to 4 carbon atoms in each case, R4 represents halogen, methyl or methoxy, n represents a number 0, 1 or 2, z represents the group (Ia) STR2 or the group (Ib) STR3 where X represents oxygen, sulphur, an N--R10 or N--O--R11 group, or X and Rg tpgether represent the STR4 radical, and the other radicals can have various meanings. Intermediates of the formulae STR5 are also new.