1-(CHLOROMETHYL)-3,5-BIS(METHYLSULFONYL)BENZENE

Product Name: 1-(CHLOROMETHYL)-3,5-BIS(METHYLSULFONYL)BENZENE
CAS No.: 39552-81-3
Chemical Name: 1-(CHLOROMETHYL)-3,5-BIS(METHYLSULFONYL)BENZENE
Synonyms: 2-(4-aminophenyl)propanoate;Benzocaine Impurity 14;METHYL P-AMINOPHENYLACETATE;Methyl 4-aminobenzeneacetate;METHYL-(4-AMINOPHENYL)ACETATE;p-(Methoxycarbonylmethyl)aniline;4-Aminophenylacetic acid methyl ester;Benzeneacetic acid, 4-amino-, methyl ester;1-(CHLOROMETHYL)-3,5-BIS(METHYLSULFONYL)BENZENE;1-(CHLOROMETHYL)-3,5-BIS(METHYLSULPHONYL)BENZENE
CBNumber: CB5672534
Molecular Formula: C9H11NO2
Formula Weight: 165.19
MOL File: 39552-81-3.mol

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1-(CHLOROMETHYL)-3,5-BIS(METHYLSULFONYL)BENZENE Property

Melting point:: 197-200°C
Boiling point:: 96-100/0.07mm
Density: 1.143±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
pka: 4.36±0.10(Predicted)
form: liquid
color: Brown
InChI: 1S/C9H11NO2/c1-12-9(11)6-7-2-4-8(10)5-3-7/h2-5H,6,10H2,1H3
InChIKey: TVIVLENJTXGRAM-UHFFFAOYSA-N
SMILES: COC(=O)Cc1ccc(N)cc1

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Safety

Hazard Codes: Xi
Risk Statements: 43-52
Safety Statements: 36-37
WGK Germany: WGK 3
HazardClass: IRRITANT
HS Code: 2922290090
Storage Class: 11 - Combustible Solids

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Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Warning

Hazard statements

H315Causes skin irritation

H319Causes serious eye irritation

Precautionary statements

P264Wash hands thoroughly after handling.

P264Wash skin thouroughly after handling.

P280Wear protective gloves/protective clothing/eye protection/face protection.

P302+P352IF ON SKIN: wash with plenty of soap and water.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

P332+P313IF SKIN irritation occurs: Get medical advice/attention.

P337+P313IF eye irritation persists: Get medical advice/attention.

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N-Bromosuccinimide Price

TRC

Product number: M219085
Product name: Methyl2-(4-Aminophenyl)acetate
Packaging: 50mg
Price: $45
Updated: 2021/12/16

SynQuest Laboratories

Product number: 4758-1-X9
Product name: Methyl 4-aminophenylacetate
Packaging: 1g
Price: $16
Updated: 2021/12/16

SynQuest Laboratories

Product number: 4758-1-X9
Product name: Methyl 4-aminophenylacetate
Packaging: 5G
Price: $37
Updated: 2021/12/16

Matrix Scientific

Product number: 012593
Product name: Methyl-(4-aminophenyl)acetate
Purity: 98%
Packaging: 5g
Price: $37
Updated: 2021/12/16

Matrix Scientific

Product number: 012593
Product name: Methyl-(4-aminophenyl)acetate
Purity: 98%
Packaging: 25g
Price: $114
Updated: 2021/12/16

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1-(CHLOROMETHYL)-3,5-BIS(METHYLSULFONYL)BENZENE Chemical Properties,Usage,Production

Synthesis

67-56-1

1197-55-3

39552-81-3

Synthesis of Intermediate 8a: Methyl 2-(4-aminophenyl)acetate 4-Aminophenylacetic acid (10.0 g, 66.6 mmol) was dissolved in methanol (350 mL), stirred and concentrated. Concentrated sulfuric acid (3.88 mL, 72.77 mmol) was added slowly and dropwise. The reaction mixture was stirred at 50 °C overnight and subsequently cooled to room temperature and concentrated under vacuum. The concentrated mixture was diluted with water, neutralized with sodium carbonate (Na2CO3) until the solid precipitated, and then extracted with dichloromethane (DCM). The organic layer was dried with anhydrous sodium sulfate (Na2SO4), filtered and concentrated to give methyl 2-(4-aminophenyl)acetate (9.75 g, 59.02 mmol, 89% yield). Method 2: RT: 0.60 min, m/z 165.9 [M + H]+.

References

[1] Patent: US2014/303218, 2014, A1. Location in patent: Paragraph 0088-0089
[2] Dalton Transactions, 2018, vol. 47, # 15, p. 5259 - 5268
[3] Patent: WO2016/51193, 2016, A1. Location in patent: Paragraph 00249; 00250; 00251
[4] Bioorganic and Medicinal Chemistry Letters, 2009, vol. 19, # 6, p. 1784 - 1789
[5] Journal of Medicinal Chemistry, 1997, vol. 40, # 7, p. 1049 - 1062

1-(CHLOROMETHYL)-3,5-BIS(METHYLSULFONYL)BENZENE Preparation Products And Raw materials

Raw materials

Preparation Products

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1-(CHLOROMETHYL)-3,5-BIS(METHYLSULFONYL)BENZENE Suppliers

China 69 Germany 1 India 3 Japan 1 Slovakia 1 United Kingdom 7 United States 7 Global 89

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Cool Pharm, Ltd

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View Lastest Price from 1-(CHLOROMETHYL)-3,5-BIS(METHYLSULFONYL)BENZENE manufacturers

Career Henan Chemical Co

Product: 39552-81-3 39552-81-3
Price: US $0.01/KG
Min. Order: 1KG
Purity: 98%; 99%
Supply Ability: 1kg; 10kg; 25kg
Release date: 2020-01-07

39552-81-3, 1-(CHLOROMETHYL)-3,5-BIS(METHYLSULFONYL)BENZENERelated Search:

4-Aminophenylacetonitrile Methyl p-nitrophenylacetate 4-Aminophenylacetic acid Methyl α-methyl-p-aminophenylacetate ETHYL 4-NITROPHENYLGLYOXYLATE Ethyl 4-nitrophenylacetate 7-Diethylamino-3-(4'-maleimidylphenyl)-4- methylcoumarin BIS(2,4-DINITROPHENYL)ACETIC ACID ETHYL ESTER Vincristine sulfate Ethyl 4-aminophenylacetate METHYL 2,4-DINITROPHENYLACETATE 3-(4-AMINO-PHENYL)-CHROMEN-2-ONE ETHYL 2-(4-AMINO-3-METHOXYPHENYL)-3,3,3-TRIFLUORO-2-HYDROXYPROPANOATE ETHYL 2-(4-[(2-CHLOROACETYL)(METHYL)AMINO]PHENYL)-3,3,3-TRIFLUORO-2-HYDROXYPROPANOATE 5-[(DIMETHYLAMINO)METHYLENE]-4-METHYL-3-(4-NITROPHENYL)-2(5H)-FURANONE 3,3,3-TRIFLUORO-2-HYDROXY-2-(4-METHYLAMINO-PHENYL)-PROPIONIC ACID ETHYL ESTER 2-OXOPROPYL 2-(4-NITROPHENYL)ACETATE METHYL 2-(4-[(([(1-CHLOROETHYLIDENE)AMINO]OXY)CARBONYL)(METHYL)AMINO]PHENYL)-3,3,3-TRIFLUORO-2-HYDROXYPROPANOATE

METHYL P-AMINOPHENYLACETATE

METHYL-(4-AMINOPHENYL)ACETATE

1-(CHLOROMETHYL)-3,5-BIS(METHYLSULFONYL)BENZENE

1-(CHLOROMETHYL)-3,5-BIS(METHYLSULPHONYL)BENZENE

Benzeneacetic acid, 4-amino-, methyl ester

p-(Methoxycarbonylmethyl)aniline

4-Aminophenylacetic acid methyl ester

Methyl 4-aminobenzeneacetate

4-Aminophenylacetic acid methyl ester, 4-[(Methoxycarbonyl)methyl]aniline

2-(4-aminophenyl)propanoate

Benzocaine Impurity 14

39552-81-3

Aromatic Esters