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(2S,3R)-2-[(Dichloroacetyl)amino]-3-hydroxy-3-[4-(methylsulfonyl)phenyl]propyl glycinate hydrochloride (1:1) | CAS No. 2611-61-2

(2S,3R)-2-[(Dichloroacetyl)amino]-3-hydroxy-3-[4-(methylsulfonyl)phenyl]propyl glycinate hydrochloride (1:1)

Basic Information

Chemical_Structure_Of
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CAS Number

2611-61-2

Molecular Formula

C14H19Cl3N2O6S

Molecular Weight

449.74 g/mol

AD

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids
Basic Chemical Raw Materials Organic Chemicals Esters
Basic Chemical Raw Materials Organic Chemicals Ethers
Basic Chemical Raw Materials Organic Chemicals Amines
Fine Chemicals Dyes and Pigments Organic Dyes
Fine Chemicals Surfactants Anionic Surfactants
Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

184-185°C

Specific Rotation

+10.5° (H2O, 589.3nm)

SMILES

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CS(=O)(=O)C1=CC=C(C=C1)C(C(COC(=O)CN)NC(=O)C(Cl)Cl)O.Cl

InChI

InChI=1S/C14H18Cl2N2O6S.ClH/c1-25(22,23)9-4-2-8(3-5-9)12(20)10(7-24-11(19)6-17)18-14(21)13(15)16;/h2-5,10,12-13,20H,6-7,17H2,1H3,(H,18,21);1H/t10-,12+;/m0./s1

InChIKey

DKXJDBJNAXSJDH-XOZOLZJESA-N

LogP

0.33570000000000016

Topological Polar Surface Area

135.79 Ų

Hydrogen Bond Donor/Acceptor

4 / 8

Complexity

558

Safety Information

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Hazard Statement

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

  • J-016259
  • 2611-61-2
  • NCGC00167498-01
  • AKOS024255724
  • (2R,3R)-2-[(dichloroacetyl)amino]-3-hydroxy-3-[4-(methylsulfonyl)phenyl]propyl glycinate hydrochloride
  • Thiamphenicol aminoacetate hydrochloride [JAN]
  • Glycine, alpha-ester with D-threo-(+)-2,2-dichloro-N-(beta-hydroxy-alpha-(hydroxymethyl)-p-(methylsulfonyl)phenethyl)acetamide, hydrochloride
  • MFCD03093731
  • GLYCINE, (2R,3R)-2-((2,2-DICHLOROACETYL)AMINO)-3-HYDROXY-3-(4-(METHYLSULFONYL)PHENYL)PROPYL ESTER, HYDROCHLORIDE (1:1)
  • HY-132282
  • 88VGC22BWE
  • Thiamphenicol glycinate hydrochloride
  • Neomyson G hydrochloride
  • EINECS 220-033-6
  • 2-aminoacetic acid [(2R,3R)-2-[(2,2-dichloro-1-oxoethyl)amino]-3-hydroxy-3-(4-methylsulfonylphenyl)propyl] ester hydrochloride
  • A818178
  • Thiophenicol glycinate hydrochloride
  • [(2R,3R)-2-[2,2-bis(chloranyl)ethanoylamino]-3-(4-methylsulfonylphenyl)-3-oxidanyl-propyl] 2-azanylethanoate hydrochloride
  • Thiophenicolglycinatehydrochloride
  • SMR004701782
  • Thiamphenicol glycinate HCl
  • THIAMPHENICOL AMINOACETATE HYDROCHLORIDE [WHO-DD]
  • DTXCID003650
  • Urfamycin (TN)
  • 2-((Dichloroacetyl)amino)-3-hydroxy-3-(4-(methylsulphonyl)phenyl)propyl (R-(R*,R*))aminoacetate monohydrochloride
  • Thiamphenicol aminoacetate hydrochloride (JAN)
  • (2R,3R)-2-(2,2-dichloroacetamido)-3-hydroxy-3-(4-methanesulfonylphenyl)propyl 2-aminoacetate hydrochloride
  • CHEMBL2356696
  • [(2R,3R)-2-[(2,2-dichloroacetyl)amino]-3-hydroxy-3-(4-methylsulfonylphenyl)propyl] 2-aminoacetate;hydrochloride
  • CS-0182820
  • D08583

MDL Number

MFCD03093731

FAQ

What are the physical and chemical properties of (2S,3R)-2-[(Dichloroacetyl)amino]-3-hydroxy-3-[4-(methylsulfonyl)phenyl]propyl glycinate hydrochloride (CAS: 2611-61-2)?
The compound (2S,3R)-2-[(Dichloroacetyl)amino]-3-hydroxy-3-[4-(methylsulfonyl)phenyl]propyl glycinate hydrochloride has a crystalline form with a molecular weight of approximately 442.4 g/mol. It exhibits poor solubility in water but good solubility in organic solvents. The compound is reactive towards nucleophiles and can undergo hydrolysis and substitution reactions. It has a melting point of around 160-163°C.

How is (2S,3R)-2-[(Dichloroacetyl)amino]-3-hydroxy-3-[4-(methylsulfonyl)phenyl]propyl glycinate hydrochloride (CAS: 2611-61-2) typically synthesized?
It is synthesized from 2-amino-3-hydroxy-3-[4-(methylsulfonyl)phenyl]propionic acid and dichloroacetyl chloride, using a multi-step process involving esterification and amidation reactions. The reaction is typically catalyzed by a suitable base, and the product is isolated and purified by recrystallization or column chromatography.

What industries use (2S,3R)-2-[(Dichloroacetyl)amino]-3-hydroxy-3-[4-(methylsulfonyl)phenyl]propyl glycinate hydrochloride (CAS: 2611-61-2)?
This compound is used in the pharmaceutical industry for the synthesis of certain drugs. It can also be used in the production of sensors and as an intermediate in the development of new materials. Due to its structural complexity, it may have applications in the field of organic electronics and as a chemical reagent for analytical purposes.

What precautions should be taken when handling (2S,3R)-2-[(Dichloroacetyl)amino]-3-hydroxy-3-[4-(methylsulfonyl)phenyl]propyl glycinate hydrochloride (CAS: 2611-61-2)?
Proper personal protective equipment (PPE) should be worn, including gloves, goggles, and a lab coat. The compound should be handled in a well-ventilated area or a fume hood to minimize exposure to inhalation. Spills should be immediately cleaned up using appropriate absorbent materials, followed by rinsing the affected area with water. Safety data sheets (SDS) should be consulted for detailed handling and disposal instructions.

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SuiZhouJiaKeYiYao Chemical Co Ltd

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SuiZhouJiaKeYiYaoHuaGongYouXianGongSiXiaoShouBu

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(2S,3R)-2-[(Dichloroacetyl)amino]-3-hydroxy-3-[4-(methylsulfonyl)phenyl]propyl glycinate hydrochloride (1:1) — HePeng （ ShangHai ） Biotechnology Co Ltd

HePeng （ ShangHai ） Biotechnology Co Ltd

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Shanghai Huicheng Biotechnology Co., Ltd.

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Shanghai Hansi Chemical Co., Ltd.

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Zhejiang Haxing Pharmaceutical Co., Ltd.

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Jiangsu Huachang (Group) Co., Ltd.

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(2S,3R)-2-[(Dichloroacetyl)amino]-3-hydroxy-3-[4-(methylsulfonyl)phenyl]propyl glycinate hydrochloride (1:1) — Shanghai Jixiang Biotechnology Co., Ltd.

Shanghai Jixiang Biotechnology Co., Ltd.

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(2S,3R)-2-[(Dichloroacetyl)amino]-3-hydroxy-3-[4-(methylsulfonyl)phenyl]propyl glycinate hydrochloride (1:1) — ShangHaiJiZhiShengHua Technology Co Ltd

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