Basic information
- CAS
329-30-6- Standard SMILES
Cc1ccc(S(=O)(=O)NC(Cc2ccccc2)C(=O)CCl)cc1- InChIKey
MQUQNUAYKLCRME-UHFFFAOYSA-N- Molecular formula
- C17H18ClNO3S
- Average molar mass
- 351.8 g/mol
- Monoisotopic mass
- 351.0695923
Overview
See also: Nalpha-Tosyl-L-phenylalanine chloromethyl ketone (annotation moved to).
Names & identifiers
- Preferred name
- N-(3-Chloro-2-oxo-1-(phenylmethyl)propyl)-4-methylbenzenesulfonamide
- IUPAC
- N-(4-chloro-3-oxo-1-phenylbutan-2-yl)-4-methylbenzenesulfonamide
- English name
- TPCK
- Molecular formula
- C17H18ClNO3S
- Molecular weight
- 351.85
Names & synonyms
329-30-6N-(3-Chloro-2-oxo-1-(phenylmethyl)propyl)-4-methylbenzenesulfonamiden-(4-chloro-3-oxo-1-phenylbutan-2-yl)-4-methylbenzenesulfonamide1-chloro-3-tosylamido-4-phenyl-2-butanoneT.P.C.K., N-tosyl-L-phenylalanine chloromethyl ketoneTosyl-L-Phenylalanine chloromethylketoneNSC 89167Tosylphenylalanyl chloromethyl ketone, (L)-L-1-TOSYLAMIDE-2-PHENYLETHYL-CHLOROMETHYL KETONESCHEMBL441444orb3175005DTXSID20926571
Show more names
TPCKTOS-PHE-CMKTOS-PHE-CHLOROMETHYLKETONEN-TOSYL-PHE-CHLOROMETHYLKETONEN-ALPHA-TOSYL-PHE CHLOROMETHYL KETONEN-TOSYLAMIDE PHENETHYL CHLOROMETHYLKETONETOSYL-L-PHENYLALANINE CHLOROMETHYL KETONEN-TOSYL-L-PHENYLALANINE CHLOROMETHYL KETONEL-1-CHLORO-3-TOSYLAMIDO-4-PHENYL-2-BUTANONE
NPE1244MQUQNUAYKLCRME-UHFFFAOYSA-NTosyl-L-phenylalanyl-chloromethaneNSC89167N-(4-Chloro-3-oxo-1-phenylbutan-2-yl)-4-methylbenzene-1-sulfonamideNSC-89167AKOS024370910Benzenesulfonamide, N-(3-chloro-2-oxo-1-(phenylmethyl)propyl)-4-methyl-
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 71.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 475
Physicochemical properties
- Melting point
- 106 · 106-108 °C(lit.)
- Boiling point
- 509.895 · 509.895±60.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.375 g/cm³ · 1.375 g/cm³
- storage temp.
- 20 °C · −20°C
- solubility
- 10 mg/mL · DMSO: >10 mg/mL stable for several months at 4°C.
- form
- powder
- pka
- 9.287 · 9.287±0.10(predicted)
- color
- white
- Hazard Codes
- Xi
- Risk Statements
- 37 · 37/38-41
- Safety Statements
- 26 · 26-36
- WGK Germany
- 3 · 3
- RTECS
- 5613500 · XT5613500
- F
- 10 · 10-19-21
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- F
- 10-19-21
- wgk
- 3
- rtecs
- XT5613500
- risk_code
- 37/38-41
- hazard_code
- Xi
- safety_code
- 26-36
Chemistry & industry
Applications
UsesL-1,4'-methylsulfonyl-2-phenylethylchloromethyl ketone can be used as an organic reagent.
Suppliers10 total
郑州汇聚化工有限公司0371-53399770 18037166334 · [email protected]
咸宁深蓝生物医药研发有限公司18171815831 · [email protected]
上海海皋科技有限公司021-57646680 18306277365 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]
ATK CHEMICAL COMPANY LIMITED+undefined-21-51877795 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
常州辰鸿生物科技有限公司+86-0519-85788828 +86-13775037613 · [email protected]
DONBOO AMINO ACID COMPANY13063595538 · [email protected]
凌源贝卞森生物科技有限公司18642120371 · [email protected]
Related reactions
1 records
Compound notes
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