1,3-Dithiane, 2-phenyl-

Names

[ Name ]:
1,3-Dithiane, 2-phenyl-

[Synonym ]:
EINECS 226-568-1
2-phenyl-1,3-dithioane
2-Phenyl-m-dithiane
m-DITHIANE,2-PHENYL
1-phenyl-1,3-dithiane
MFCD00006656
1,3-Dithiane,2-phenyl

Chemical & Physical Properties

[ Density]:
1.157g/cm3

[ Boiling Point ]:
326.8ºC at 760mmHg

[ Melting Point ]:
72-74ºC(lit.)

[ Molecular Formula ]:
C₁₀H₁₂S₂

[ Molecular Weight ]:
196.33200

[ Flash Point ]:
158.3ºC

[ Exact Mass ]:
196.03800

[ PSA ]:
50.60000

[ LogP ]:
3.55530

[ Index of Refraction ]:
1.615

MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: JO5277000

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

CAS REGISTRY NUMBER :: 5425-44-5

BEILSTEIN REFERENCE NO. :: 0130879

LAST UPDATED :: 199612

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C10-H12-S2

MOLECULAR WEIGHT :: 196.34

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 :: 1500 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;Gloves;type N95 (US);type P1 (EN143) respirator filter

[ Safety Phrases ]:
S22

[ RIDADR ]:
UN 3335

[ HS Code ]:
2934999090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

1,3-Propanedithiol
Benzaldehyde
Benzaldehyde dimethyl acetal
Benzene,(diethoxymethyl)-
1,3-Dioxane, 2-phenyl-
2-phenyl-1,3-dioxolane
2,2-dibutyl-1,3,2-dithiastanninane
2,4,8,10-Tetraoxaspiro[5.5]undecane,3,9-diphenyl-
3-(1,3-DITHIAN-2-YLIDENE)-PENTANE-2,4-DIONE
2-phenyl-1,3-dithian-2-ylium tetrafluoroborate

DownStream

2-hydroxy-2-(2-methylphenyl)-1-phenylethanone
(DIFLUOROMETHYL)BENZENE
3-Methyl-1,2,3,4-tetrahydronaphthalene-1-one
1-phenylpentane-1,2-dione
2-phenylthiolane
Benzaldehyde-α-d1
Butylbenzene
Bibenzyl
Toluene
Benzoin

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

Multicomponent linchpin couplings. Reaction of dithiane anions with terminal epoxides, epichlorohydrin, and vinyl epoxides: efficient, rapid, and stereocontrolled assembly of advanced fragments for complex molecule synthesis.

J. Am. Chem. Soc. 125 , 14435, (2003)

The development, application, and advantages of a one-flask multicomponent dithiane linchpin coupling protocol, over the more conventional stepwise addition of dithiane anions to electrophiles leading...

Smith, A. B., III; Boldi, A. M.

J. Am. Chem. Soc. 119 , 6925, (1997)

Synthesis of 1-deuterioaldehydes. Benzaldehyde-1-D. Seebach D, et al.

J. Org. Chem. 31(12) , 4303-4, (1966)