Basic information
- Name:
Bicyclo[2.2.1]heptane-1-methanesulfonylchloride, 7,7-dimethyl-2-oxo-, (1S,4R)-
- Superlist Name:
- D(+)-10-Camphorsulfonyl chloride
- CAS No.:
21286-54-4
- Molecular Structure:
![Molecular Structure of 21286-54-4 (Bicyclo[2.2.1]heptane-1-methanesulfonylchloride, 7,7-dimethyl-2-oxo-, (1S,4R)-)](http://www.lookchem.com/300w/2010/0620/21286-54-4.jpg)
- Formula:
- C10H15ClO3S
- Molecular Weight:
- 250.74
- Synonyms:
- 10-Bornanesulfonylchloride, 2-oxo-, (+)- (8CI);10-Camphorsulfonyl chloride (6CI);Bicyclo[2.2.1]heptane-1-methanesulfonyl chloride, 7,7-dimethyl-2-oxo-, (1S)-;(+)-10-Camphorsulfonic acid chloride;(+)-10-Camphorsulfonyl chloride;(+)-Camphorsulfonyl chloride;(1S)-(+)-10-Camphorsulfonyl chloride;(1S)-(+)-Camphorsulfonyl chloride;(1S)-1-[(Chlorosulfonyl)methyl]-7,7-dimethylbicyclo[2.2.1]heptan-2-one;(1S)-10-Camphorsulfonyl chloride;(1S)-Camphor-10-sulfonyl chloride;(S)-(+)-10-Camphorsulfonyl chloride;(S)-(+)-Camphorsulfonyl chloride;(S)-Camphor-10-sulfonyl chloride;d-10-Camphorsulfonyl chloride;d-Camphorsulfonyl chloride;
- EINECS:
- 244-314-8
- Density:
- 1.331 g/cm3
- Melting Point:
- 67-68 °C
- Boiling Point:
- 349.4 °C at 760 mmHg
- Flash Point:
- 165.1 °C
- Appearance:
- white to light yellow crystal powder
- Hazard Symbols:
C- Risk Codes:
- 34
- Safety Description:
- 26-36/37/39-45 Details
- Transport Information:
- UN 3261 8/PG 2
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Specification
The Bicyclo[2.2.1]heptane-1-methanesulfonylchloride, 7,7-dimethyl-2-oxo-, (1S,4R)-, with the CAS registry number 21286-54-4 and EINECS registry number 244-314-8, has the systematic name of [(1S,4R)-7,7-dimethyl-2-oxobicyclo[2.2.1]hept-1-yl]methanesulfonyl chloride. It belongs to the following product categories: Pharmaceutical Intermediates; chiral; Chiral Reagents; Bicyclic Monoterpenes; Biochemistry; for Resolution of Alcohols & Thiols; for Resolution of Bases; Optical Resolution; Synthetic Organic Chemistry; Terpenes; Intermediates & Fine Chemicals; Pharmaceuticals; Sulfonyl Chlorides. And the molecular formula of the chemical is C10H15ClO3S.
The characteristics of Bicyclo[2.2.1]heptane-1-methanesulfonylchloride, 7,7-dimethyl-2-oxo-, (1S,4R)- are as followings: (1)ACD/LogP: 1.55; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.55; (4)ACD/LogD (pH 7.4): 1.55; (5)ACD/BCF (pH 5.5): 8.88; (6)ACD/BCF (pH 7.4): 8.88; (7)ACD/KOC (pH 5.5): 166.13; (8)ACD/KOC (pH 7.4): 166.13; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 59.59 Å2; (13)Index of Refraction: 1.528; (14)Molar Refractivity: 58.02 cm3; (15)Molar Volume: 188.3 cm3; (16)Polarizability: 23×10-24cm3; (17)Surface Tension: 44.2 dyne/cm; (18)Density: 1.331 g/cm3; (19)Flash Point: 165.1 °C; (20)Enthalpy of Vaporization: 59.39 kJ/mol; (21)Boiling Point: 349.4 °C at 760 mmHg; (22)Vapour Pressure: 4.71E-05 mmHg at 25°C.
Uses of Bicyclo[2.2.1]heptane-1-methanesulfonylchloride, 7,7-dimethyl-2-oxo-, (1S,4R)-: It can react with (2S)-10-Bromodecan-2-ol to produce (1R,1'S)-2-Oxobornan-10-sulfonseaure-(9'-bromo-1'-methylnonyl)ester. This reaction will need reagent Et3N, and the menstruum CH2Cl2. The reaction time is 1.5 hours with temperature of 3°C, and the yield is about 99%.
You should be cautious while dealing with this chemical. It may cause burns. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice. What's more, if in case of accident or if you feel unwell, seek medical advice immediately (show label where possible).
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: ClS(=O)(=O)C[C@@]12C(=O)C[C@@H](CC1)C2(C)C
(2)InChI: InChI=1/C10H15ClO3S/c1-9(2)7-3-4-10(9,8(12)5-7)6-15(11,13)14/h7H,3-6H2,1-2H3/t7-,10-/m1/s1
(3)InChIKey: BGABKEVTHIJBIW-GMSGAONNBT