2-Methyl-1,3-dithiane

Names

[ CAS No. ]:
6007-26-7

[ Name ]:
2-Methyl-1,3-dithiane

[Synonym ]:
EINECS 227-859-6
2-methyl-1,3-dithiane
MFCD00014652

Chemical & Physical Properties

[ Density]:
1.121 g/mL at 25 °C(lit.)

[ Boiling Point ]:
56-59 °C3 mm Hg(lit.)

[ Molecular Formula ]:
C₅H₁₀S₂

[ Molecular Weight ]:
134.26300

[ Flash Point ]:
180 °F

[ Exact Mass ]:
134.02200

[ PSA ]:
50.60000

[ LogP ]:
2.20250

[ Index of Refraction ]:
n20/D 1.560(lit.)

MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: JO5263000

CHEMICAL NAME :: m-Dithiane, 2-methyl-

CAS REGISTRY NUMBER :: 6007-26-7

BEILSTEIN REFERENCE NO. :: 0102766

LAST UPDATED :: 199612

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C5-H10-S2

MOLECULAR WEIGHT :: 134.27

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 1200 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: EJMCA5 European Journal of Medicinal Chemistry--Chimie Therapeutique. (Editions Scientifiques Elsevier, 29 rue Buffon, F-75005, Paris, France) V.9- 1974- Volume(issue)/page/year: 19,461,1984

Safety Information

[ Personal Protective Equipment ]:
Eyeshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter

[ Safety Phrases ]:
S23-S24/25

[ RIDADR ]:
3334

[ WGK Germany ]:
3

[ RTECS ]:
JO5263000

[ HS Code ]:
2934999090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

1,3-Propanedithiol
ch3cho
1,3-Dithiane
methyl iodide
1,3-dithian-2-yl(trimethyl)silane
METHYLMAGNESIUM IODIDE
1,3-dithian-2-yl tetrafluoroborate

DownStream

agn-pc-00h0rh
2-Butanone,3-hydroxy-3-phenyl-
2-methyl-1,3-dithiane 1-oxide
1-(2-methyl-1,3-dithian-2-yl)butan-1-one
3-hydroxy-2-octanone
6-Methyl-6-hepten-2-one
3-hydroxy-4,4-dimethylpentan-2-one
2-methyl-2-(4-nitrophenyl)-1,3-dithiane
1-[2,6-bis[(2-methyl-1,3-dithian-2-yl)methyl]phenyl]pyrrole
2-methyl-1,3-dithiane-2-carbaldehyde

Customs

[ HS Code ]: 2934999090

[ Summary ]:
2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

Articles

The role of hyperconjugation in the conformational analysis of methylcyclohexane and methylheterocyclohexanes.

J. Org. Chem. 68(17) , 6780-7, (2003)

Full geometry optimizations were carried out at the HF/6-31G** and B3LYP/6-31G** levels for methylcyclohexane, 2-, 3-, and 4-methyltetrahydropyran, 2-, 3-, and 4-methylpiperidine, 2-, 3-, and 4-methyl...

Anion relay chemistry: an effective tactic for diversity oriented synthesis.

J. Am. Chem. Soc. 128 , 66, (2006)

An effective one-flask multicomponent linchpin coupling protocol employing the concept of anion relay chemistry (ARC) was developed. This concept calls for addition of an anion (5) to an epoxide (6), ...

Crystal structure of potassium trifluoro (2-methyl-1, 3-dithiano) borate, K (C5H9BF3S2). Caracelli I, et al.

Z. Kristallogr. - New Cryst. Struct. 222(3) , 345-7, (2007)

2-methyl-1,3-dithiane 1-oxide
2-ethyl-2-methyl-1,3-dithiane
2-butyl-2-methyl-1,3-dithiane
2-hexyl-2-methyl-1,3-dithiane
2-formyl-2-methyl-1,3-dithiane
2-Lithio-2-methyl-1,3-dithiane
Ethyl 4-(1,3-thiazol-4-yl)pyrrolidine-3-carboxylate
5-(3-bromo-2-fluorophenyl)-1H-imidazol-2-amine
Ethyl 2-amino-3-(2-methylcyclopropyl)propanoate
(2R)-1-(5-bromo-1,3-thiazol-2-yl)propan-2-amine
1-[1-(4-Bromo-5-chlorothiophen-2-yl)cyclopropyl]ethan-1-amine
2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-5,5,5-trifluoro-4-hydroxypentanoic acid
methyl (8R)-11-benzyl-4,11-diazatricyclo[6.2.1.0,2,6]undecane-2-carboxylate
3-Amino-1-(2-bromo-1,3-thiazol-4-yl)propan-1-one
5-(2-bromo-4-methoxyphenyl)-1-methyl-1H-pyrazol-4-amine
2-(2-cyanocyclopentyl)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)acetic acid

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