1,3-二噻烷

1,3-二噻烷用途

1,3-Dithiane 是一种受保护的甲醛阴离子当量,可以用作有用的标记合成子。1,3-Dithiane 是在煮熟的牛肉提取物中发现的含硫美拉德反应产物 (MRPs) 。1,3-Dithiane 对鼠伤寒沙门氏菌 TA98 和 TA100 具有有效的诱变作用。

1,3-二噻烷名称

[ CAS 号 ]:
505-23-7

[ 中文名 ]:
1,3-二噻烷

[ 英文名 ]:
1,3-Dithiane

[中文别名 ]:

[英文别名 ]:

Dithiane-1,3
1,3-Dithiacyclohexane
1,3-dithaine
EINECS 208-006-7
META-DITHIANE
[1,3]dithiane
1,3-Dithian
1,3-dihtiane
M-DITHIANE
1,3-Dithiane

1,3-二噻烷生物活性

[ 描述 ]:

[ 相关类别 ]:

研究领域 >> 感染

信号通路 >> 抗感染 >> 细菌

[ 靶点 ]

Human Endogenous Metabolite

[参考文献]

[1]. Lee H, et al. Genotoxicity of 1,3-dithiane and 1,4-dithiane in the CHO/SCE assay and the Salmonella/microsomal test. Mutat Res. 1994 Jun;321(4):213-8.

[2]. Martinez RA, et al. Synthesis of isotopically labeled 1,3-dithiane. J Labelled Comp Radiopharm. 2014 May 15;57(5):338-41.

1,3-二噻烷物理化学性质

[ 密度 ]:
1.1±0.1 g/cm3

[ 沸点 ]:
195.0±23.0 °C at 760 mmHg

[ 熔点 ]:
52-54 °C(lit.)

[ 分子式 ]:
C₄H₈S₂

[ 分子量 ]:
120.236

[ 闪点 ]:
90.6±0.0 °C

[ 精确质量 ]:
120.006737

[ PSA ]:
50.60000

[ LogP ]:
1.14

[ 外观性状 ]:
白色固体

[ 蒸汽压 ]:
0.6±0.4 mmHg at 25°C

[ 折射率 ]:
1.574

[ 储存条件 ]:
室温

1,3-二噻烷MSDS

1,3-二噻烷毒性和生态

CHEMICAL IDENTIFICATION

RTECS NUMBER :: JO5070000

CHEMICAL NAME :: m-Dithiane

CAS REGISTRY NUMBER :: 505-23-7

LAST UPDATED :: 199412

DATA ITEMS CITED :: 3

MOLECULAR FORMULA :: C4-H8-S2

MOLECULAR WEIGHT :: 120.24

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

MUTATION DATA

TYPE OF TEST :: Sister chromatid exchange

TEST SYSTEM :: Rodent - hamster Ovary

DOSE/DURATION :: 80 umol/L

REFERENCE :: MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 321,213,1994

1,3-二噻烷安全信息

[ 个人防护装备 ]:
Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter

[ 危害码 (欧洲) ]:
Xi

[ 风险声明 (欧洲) ]:
20/21/22

[ 安全声明 (欧洲) ]:
S22-S24/25

[ 危险品运输编码 ]:
UN 1325 4.1/PG 2

[ WGK德国 ]:
3

[ RTECS号 ]:
JO5070000

[ 包装等级 ]:
III

[ 危险类别 ]:
4.1

[ 海关编码 ]:
29349990

1,3-二噻烷合成路线

1,3-二噻烷上下游产品

1,3-二噻烷上游产品

1,3-二噻烷下游产品

1,3-二噻烷制备

1.将三氟化硼乙醚溶液、冰乙酸和氯仿的混合物，在剧烈搅拌下加热回流，滴加1，3-丙二硫醇和甲醛缩二甲醇-氯仿溶液。然后冷至室温。依次用水、10%氢氧化钾溶液、水洗涤。分出氯仿溶液进行干燥、浓缩，残余物溶于甲醇，加热至沸，趁热过滤，滤液冷至室温，置-20℃静置过夜，滤出结晶，真空干燥，得1，3-二噻烷。

2.在Lewis酸催化作用下，醛或缩醛衍生物与1,3-甲烷二硫醇反应，或用二硫醇的衍生物与亲氧试剂反应制备。也可通过1,3-丙二硫醇与双-二碘代烷烃在Ph₂PCH₂PPh₂/Pt²⁺催化作用下反应，生成1,3-二噻烷，也可以通过一种对-2-炔酮衍生物的Michael双重加成反应来制备。

1,3-二噻烷海关

[ 海关编码 ]: 2934999090

[ 中文概述 ]:
2934999090. 其他杂环化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%

[ 申报要素 ]: 品名, 成分含量, 用途

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

1,3-二噻烷文献

Genotoxicity of 1,3-dithiane and 1,4-dithiane in the CHO/SCE assay and the Salmonella/microsomal test.

Mutat. Res. 321(4) , 213-8, (1994)

1,3-Dithiane and 1,4-dithiane are the sulfur-containing Maillard reaction products (MRPs) which have been found in boiled beef extracts. In this study the genotoxicity of these products was examined u...

Synthesis and applications of masked oxo-sulfinamides in asymmetric synthesis.

Org. Biomol. Chem. 10(26) , 5021-31, (2012)

This short perspective reports on the synthesis and applications of a class of chiral amino carbonyl compounds, masked oxo-sulfinamides where the amine is protected with an N-sulfinyl moiety and the c...

Au(PPh(3))Cl-AgSbF(6)-catalyzed rearrangement of propargylic 1,3-dithianes: formation of 8-membered 1,3-bisthio-substituted cyclic allenes.

Chem. Commun. (Camb.) (18) , 2535-7, (2009)

Au(PPh(3))Cl-AgSbF(6)-catalyzed rearrangement of propargylic 1,3-dithiane leads to the formation of 8-membered dithio-substituted cyclic allenes, which are remarkably stable.

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