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Basic information
- CAS
36016-39-4- Standard SMILES
Cc1cc(C)c(S(=O)(=O)ONC(=O)OC(C)(C)C)c(C)c1- InChIKey
WVMDSNGINQNHLN-UHFFFAOYSA-N- Molecular formula
- C14H21NO5S
- Average molar mass
- 315.39 g/mol
- Monoisotopic mass
- 315.11404394
Names & identifiers
- Preferred name
- 1,1-Dimethylethyl (((2,4,6-trimethylphenyl)sulphonyl)oxy)carbamate
- IUPAC
- [(2-methylpropan-2-yl)oxycarbonylamino] 2,4,6-trimethylbenzenesulfonate
- English name
- tert-Butyl (Mesitylsulfonyl)oxycarbaMate
- Molecular formula
- C14H21NO5S
- Molecular weight
- 315.39
Names & synonyms
36016-39-4EINECS 252-837-81,1-Dimethylethyl (((2,4,6-trimethylphenyl)sulphonyl)oxy)carbamateDTXSID201895881,1-DIMETHYLETHYL [[(2,4,6-TRIMETHYLPHENYL)SULPHONYL]OXY]CARBAMATERefChem:409989DTXCID80112079252-837-8tert-Butyl (mesitylsulfonyl)oxycarbamateN-Boc-O-(mesitylsulfonyl)hydroxylamineMFCD00044463[(2-methylpropan-2-yl)oxycarbonylamino] 2,4,6-trimethylbenzenesulfonate
Show more names
N-Boc-O-(mesitylsulfonyl)hydroxyaminen-Boc-o-(Mesitylsulfonyl)HydroxylaminN-Mesitylsulfonyloxy-tert-butylcarbaMatBOC-Azanyl 2,4,6-trimethylbenzenesulfonate_x000D_N-Boc-O-(mesitylsulfonyl)hydroxylaminet-Butoxycarbonyl-O-mesitylenesulfonylhydroxylamine
N-TERT-BUTOXYCARBONYL-O-(MESITYLSULFONYL)HYDROXYLAMINETERT-BUTYL N-[(2,4,6-TRIMETHYLBENZENESULFONYL)OXY]CARBAMATE(tert-butoxycarbonylamino) 2,4,6-trimethylbenzenesulfonatetert-Butyl (((Mesityl)sulfonyl)oxy)carbamateNSC620029tert-butyl ((mesitylsulfonyl)oxy)carbamateTERT-BUTYL MESITYLSULFONYLOXYCARBAMATEtert-butyl [(mesitylsulfonyl)oxy]carbamate
Properties
Computed structural propertiesFilling in
- XLogP
- 3.2
- Topological polar surface area
- 90.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 451
Physicochemical properties
- Melting point
- 104 · 104-105.5 °C
- Density
- 1.191 · 1.191±0.06 g/cm3(Predicted)
- storage temp.
- Hygroscopic, Refrigerator, under inert atmosphere
- solubility
- DMSO (Slightly), Methanol (Slightly)
- form
- Solid
- color
- White to Off-White
- Stability
- Hygroscopic
- InChI
- InChI=1S/C14H21NO5S/c1-9-7-10(2)12(11(3)8-9)21(17,18)20-15-13(16)19-14(4,5)6/h7-8H,1-6H3,(H,15,16)
- InChIKey
- WVMDSNGINQNHLN-UHFFFAOYSA-N
- SMILES
- C1(S(ONC(OC(C)(C)C)=O)(=O)=O)=C(C)C=C(C)C=C1C
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301-H311-H331
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P302+P352-P304+P340-P310-P330-P361-P403+P233-P405-P501
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
- hs_code
- 2930909899
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- Hazard statements
- H301-H311-H331
- Precautionary statements
- P261-P264-P270-P271-P280-P302+P352-P304+P340-P310-P330-P361-P403+P233-P405-P501
Chemistry & industry
Applications
UsesTert-Butyl (Mesitylsulfonyl)oxycarbaMate is a useful reagent for the enantioselective aziridination of α,β-unsaturated aldehydes.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers93 total
苏州道澜生物医药科技有限公司15952404857 · [email protected]
上海凛南医药科技有限公司15900633975;13262632028 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]
Jinan Liheng Biotechnology Co., Ltd.15865262812 · [email protected]
北京索莱宝科技有限公司
Related reactions
29 records
Compound notes
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