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多佐胺-2-4 | 147128-77-6

中文名称
多佐胺-2-4
中文别名
多佐胺中间体-3;(4R,6S)-5,6-二氢-4-羟基-6-甲基噻吩并[2,3-b]噻喃-7,7-二氧化物;5,6-二把-(R,S)-4-乙氧基-(S)-6-甲基-4H-苯并[2,3-b]噻喃7,7-二氧化物;(4R,6S)-5,6-二氢-4-羟基-6-甲基噻吩并(2,3-b)噻喃-7,7-二氧化物;多佐胺中间体4;(4R,6S)-6-甲基-7,7-二氧代-5,6-二氢-4H-噻吩并[2,3-b]噻喃-4-醇
英文名称
(4R,6S)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-ol
英文别名
(4R,6S)-4-hydroxy-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran 7,7-dioxide;4-(R)-hydroxy-5,6-dihydro-6-(S)-methyl-4H-thieno[2,3-b]thiopyran-7,7-dioxide
多佐胺-2-4化学式
CAS
147128-77-6
化学式
C8H10O3S2
mdl
——
分子量
218.298
InChiKey
NFUQUGUUAUVBMO-CAHLUQPWSA-N
BEILSTEIN
——
EINECS
——
  • 物化性质
  • 计算性质
  • ADMET
  • 安全信息
  • SDS
  • 制备方法与用途
  • 上下游信息
  • 反应信息
  • 文献信息
  • 表征谱图
  • 同类化合物
  • 相关功能分类
  • 相关结构分类

物化性质

  • 熔点:
    154-155 °C
  • 沸点:
    433.3±45.0 °C(Predicted)
  • 密度:
    1.462
  • 溶解度:
    可溶于氯仿(少量)、DMSO、乙酸乙酯

计算性质

  • 辛醇/水分配系数(LogP):
    0.9
  • 重原子数:
    13
  • 可旋转键数:
    0
  • 环数:
    2.0
  • sp3杂化的碳原子比例:
    0.5
  • 拓扑面积:
    91
  • 氢给体数:
    1
  • 氢受体数:
    4

安全信息

  • 危险性防范说明:
    P280,P305+P351+P338
  • 危险性描述:
    H317,H319

SDS

SDS:81981497749a04da2355fd6b02a27465
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Material Safety Data Sheet

Section 1. Identification of the substance
Product Name: (4R,6S)-5,6-Dihydro-4-hydroxy-6-methylthieno[2,3-b]thiopyran-7,7-dioxide
Synonyms:

Section 2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.

Section 3. Composition/information on ingredients.
Ingredient name: (4R,6S)-5,6-Dihydro-4-hydroxy-6-methylthieno[2,3-b]thiopyran-7,7-dioxide
CAS number: 147128-77-6

Section 4. First aid measures
Skin contact: Immediately wash skin with copious amounts of water for at least 15 minutes while removing
contaminated clothing and shoes. If irritation persists, seek medical attention.
Eye contact: Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate
flushing of the eyes by separating the eyelids with fingers. If irritation persists, seek medical
attention.
Inhalation: Remove to fresh air. In severe cases or if symptoms persist, seek medical attention.
Ingestion: Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention.

Section 5. Fire fighting measures
In the event of a fire involving this material, alone or in combination with other materials, use dry
powder or carbon dioxide extinguishers. Protective clothing and self-contained breathing apparatus
should be worn.

Section 6. Accidental release measures
Personal precautions: Wear suitable personal protective equipment which performs satisfactorily and meets local/state/national
standards.
Respiratory precaution: Wear approved mask/respirator
Hand precaution: Wear suitable gloves/gauntlets
Skin protection: Wear suitable protective clothing
Eye protection: Wear suitable eye protection
Methods for cleaning up: Mix with sand or similar inert absorbent material, sweep up and keep in a tightly closed container
for disposal. See section 12.
Environmental precautions: Do not allow material to enter drains or water courses.

Section 7. Handling and storage
Handling: This product should be handled only by, or under the close supervision of, those properly qualified
in the handling and use of potentially hazardous chemicals, who should take into account the fire,
health and chemical hazard data given on this sheet.
Store in closed vessels.
Storage:

Section 8. Exposure Controls / Personal protection
Engineering Controls: Use only in a chemical fume hood.
Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles.
General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse.

Section 9. Physical and chemical properties
Appearance: Not specified
Boiling point: No data
No data
Melting point:
Flash point: No data
Density: No data
Molecular formula: C8H10O3S2
Molecular weight: 218.3

Section 10. Stability and reactivity
Conditions to avoid: Heat, flames and sparks.
Materials to avoid: Oxidizing agents.
Possible hazardous combustion products: Carbon monoxide, sulfur oxides.

Section 11. Toxicological information
No data.

Section 12. Ecological information
No data.

Section 13. Disposal consideration
Arrange disposal as special waste, by licensed disposal company, in consultation with local waste
disposal authority, in accordance with national and regional regulations.

Section 14. Transportation information
Non-harzardous for air and ground transportation.

Section 15. Regulatory information
No chemicals in this material are subject to the reporting requirements of SARA Title III, Section
302, or have known CAS numbers that exceed the threshold reporting levels established by SARA
Title III, Section 313.


SECTION 16 - ADDITIONAL INFORMATION
N/A

上下游信息

  • 上游原料
    中文名称 英文名称 CAS号 化学式 分子量
  • 下游产品
    中文名称 英文名称 CAS号 化学式 分子量

反应信息

  • 作为反应物:
    参考文献:
    名称:
    一种盐酸多佐胺关键中间体及其合成方法
    摘要:
    本发明公开了一种盐酸多佐胺关键中间体的合成方法,其包括以下步骤:将化合物Ⅱ、乙酰胺、缚酸剂、相转移催化剂依次加入有机溶剂中,在加热的条件下,搅拌进行反应,待反应结束得初产物;过滤初产物,并浓缩滤液,然后重结晶,过滤,干燥得所述盐酸多佐胺关键中间体。本发明的有益效果为:本发明采用易得的化合物Ⅱ为起始原料与乙酰胺、缚酸剂在相转移催化剂的作用下,发生SN2亲核取代反应,通过调节化合物Ⅱ与乙酰胺、缚酸剂的摩尔比及反应温度直接制得了高手性纯度的化合物Ⅰ,收率80%以上,手性纯度可达到95%以上,操作简便,而且成本低廉,适合大规模生产。
    公开号:
    CN110128442A
  • 作为产物:
    描述:
    多佐胺-2-2 在 sodium tetrahydroborate 、 双氧水 作用下, 以 乙醇甲苯 为溶剂, 生成 多佐胺-2-4
    参考文献:
    名称:
    β-butyrolactone as a chiral building block in organic synthesis: A convenient synthesis of MK-0507 keto sulfone
    摘要:
    The nucleophilic ring opening of (R)-beta-butyrolactone 2 with 2-thiophenethiolate is the key step in a straightforward stereospecific synthesis of keto sulfone 1, a precursor to carbonic anhydrase inhibitor MK-0507. Copyright (C) 1996 Elsevier Science Ltd
    DOI:
    10.1016/0957-4166(96)00350-3
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文献信息

  • Process for obtaining 4-hydroxy-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-7,7-dioxide and its enantiomers, and applications thereof
    申请人:Ragactives, S.L.
    公开号:EP2128161A1
    公开(公告)日:2009-12-02
    The invention relates to a process for obtaining cis-4-hydroxy-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-7,7-dioxide, its enantiomers or mixtures thereof, by reduction of 5,6-dihydro-6-methyl-4H-thieno[2,3-b]thiopyran-4-one-7,7-dioxide with a reducing agent which generates hydride ions. The obtained compounds are useful as intermediates in the synthesis of chiral active ingredients.
    该发明涉及一种通过用产生氢化物离子的还原剂还原5,6-二氢-6-甲基-4H-噻吩[2,3-b]噻吩吡喃-4-酮-7,7-二氧化物,从而获得顺式-4-羟基-6-甲基-5,6-二氢-4H-噻吩[2,3-b]噻吩喃-7,7-二氧化物,其对映体或其混合物的过程。所得化合物在手性活性成分合成中作为中间体有用。
  • Applying Lipase Catalysis to Access the Enantiomers of Dorzolamide Intermediates
    作者:Mihaela C. Turcu、Maria Rantapaju、Liisa T. Kanerva
    DOI:10.1002/ejoc.200900672
    日期:2009.11
    resolution of three dorzolamide intermediates has been studied in the presence of Burkholderia cepacia lipase in organic solvents. All the stereoisomers of 6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-ol were prepared starting from the racemic cis-dihydrothiopyranol intermediate giving first the 4R,6S and 4S,6R enantiomers. Subsequent epimerization and purification of the trans enantiomers by enzymatic
    在有机溶剂中洋葱伯克霍尔德菌脂肪酶存在下研究了三种多佐胺中间体的动力学拆分。6-甲基-5,6-二氢-4H-噻吩并[2,3-b]噻喃-4-醇的所有立体异构体都是从外消旋顺式-二氢噻喃醇中间体开始制备的,首先得到4R,6S和4S,6R对映异构体. 随后通过酶促酰化或醇解对反式对映异构体进行差向异构化和纯化,然后得到顺式对映异构体。顺式-4-羟基-6-甲基-5,6-二氢-4H-噻吩并[2,3-b]噻喃 7,7-二氧化物对映体也通过酶动力学拆分制备。使用脂肪酶对 3-(2-噻吩基) 丁酸乙酯进行动力学拆分可提供中等的对映选择性,但该方法并未用于该底物的制备规模。(© Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim,
  • Method of making dorzolamide hydrochloride
    申请人:Kovacs Zsolt Laszlo
    公开号:US20060155132A1
    公开(公告)日:2006-07-13
    Processes for the preparation of dorzolamide hydrochloride and an intermediate of Formula IV, are provided.
    本文提供了制备多索胺盐酸盐和式IV中间体的过程。
  • Process for Preparing Dorzolamide
    申请人:Kankan Rajendra Narayanrao
    公开号:US20100113804A1
    公开(公告)日:2010-05-06
    There is provided a process for preparing dorzolamide and processes for preparing intermediates useful in the preparation of dorzolamide. In particular, there is provided a process for preparing an acetoamido sulfone of formula (viii) comprising oxidation of a hydroxysulfonamide of formula (vii) in the presence of an oxidizing agent selected from the group consisting of: a peracid, tert-butyl hydroperoxide, dimethyl dioxirane, selenium dioxide, m-phenanthroline di-N-oxide, nitric acid and hydrogen peroxide. There is also provided a process for preparing an acetoamidosulfone of formula (ix-a) comprising converting a hydroxy sulfone of formula (viii) to the acetoamidosulfone of formula (ix-a) in the presence of acetonitrile and an acid. There is also provided a process for separating the cis- and trans-isomers of dorzolamide from a mixture of the trans-isomer of dorzolamide and the cis-isomer of dorzolamide comprising reacting the mixture of isomers with a carboxylic acid.
    提供了一种制备多索胺的方法,以及用于制备多索胺的中间体的方法。特别地,提供了一种制备公式(viii)的乙酰胺磺酸酯的方法,包括在过氧化物、叔丁基过氧化氢、二甲基二氧兰、二氧化硒、m-啰啉二-N-氧化物、硝酸过氧化氢中选取的氧化剂的存在下氧化公式(vii)的羟基磺酰胺。还提供了一种制备公式(ix-a)的乙酰胺磺酸酯的方法,包括在乙腈和酸的存在下将公式(viii)的羟基磺酸酯转化为公式(ix-a)的乙酰胺磺酸酯。此外还提供了一种从多索胺的顺式异构体和反式异构体的混合物中分离出顺式和反式异构体的方法,包括将异构体混合物与羧酸反应。
  • A practical process for the preparation of tetrahydro-1-methyl-3,3-diphenyl-1H,3H-pyrrolo[1,2-c][1,3,2]oxazaborole-borane. A highly enantioselective stoichiometric and catalytic reducing agent
    作者:David J. Mathre、Andrew S. Thompson、Alan W. Douglas、Karst Hoogsteen、James D. Carroll、Edward G. Corley、Edward J. J. Grabowski
    DOI:10.1021/jo00062a037
    日期:1993.5
    A practical, large-scale process for the preparation of tetrahydro-1-methyl-3,3-diphenyl-1H,3H-pyrrolo-[1,2-c][1,3,2]oxazaborole-borane is reported. The title compound is a stable, free-flowing crystalline solid useful either stoichiometrically or catalytically for the enantioselective reduction of prochiral ketones. When used stoichiometrically to reduce acetophenone the enantioselectivity is greater-than-or-equal-to 99.8% ee.
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同类化合物

碘离子载体I 硫代吡喃鎓,4-甲基-2,6-二苯基-,高氯酸盐 甲基5-乙氧基-3,6-二氢-2H-噻喃-2-羧酸酯 甲基4-乙氧基-3,6-二氢-2H-噻喃-2-羧酸酯 多佐胺-2-4 外-3-乙酰基-2-硫杂二环<2.2.1>庚-5-烯 十四烷酰胺,N-[3-[[4-[[2-[丁基[(4-甲基苯基)磺酰]氨基]苯基]硫代]-4,5-二氢-5-羰基-1-(2,4,6-三氯苯基)-1H-吡唑-3-基]氨基]-4-氯苯基]- 内-3-乙酰基-2-硫杂二环<2.2.2>辛-5-烯 内-3-乙酰基-2-硫杂二环<2.2.1>庚-5-烯 内-2-硫杂二环<2.2.1>庚-5-烯-3-甲腈 内-2-硫杂二环<2.2.1>庚-5-烯-3-甲腈 二硫代磷酸O,O-二甲基S-(9-硫杂双环[3.3.1]壬-6-烯-2-基)酯 γ-噻喃 alpha-去甲-3,7-二硫杂雌甾-1,5(10),8,14-四烯-17(E)-醇 N-[(4S,6S)-5,6-二氢-6-甲基-4H-噻吩并[2,3-b]噻喃-4-基]乙酰胺-7,7-二氧化物 8-硫杂双环[3.2.1]辛-2-烯 6-氯-9-硫杂二环[3.3.1]壬-2-烯 5H-异苯并噻喃并[5,6-d][1,3]噻唑 5H-1-苯并噻喃 5-硫代葡萄烯糖 5-氨基-2H-噻喃-3(6H)-酮 5-乙氧基-2H-噻喃-3(6H)-酮 5-乙氧基-2,2,6,6-四甲基-2H-噻喃-3(6H)-酮 5-乙氧基-1,1-二氧代-6H-噻喃-3-酮 5,6-二氢-2H-硫代吡喃-3-羧醛 4-甲氧基-5,6-二氢-2H-噻喃-2-酮 4-溴-3,6-二氢-2H-硫代吡喃 4,8-二甲基-2-硫杂二环(3.3.1)壬-7-烯 4,8-二甲基-2-硫杂二环(3.3.1)壬-3,7-二烯 3-苄基-2,6-二苯基-2H-噻喃-5-甲醛 3-氧杂-9-硫杂-4-氮杂三环[5.2.2.02,6]十一碳-1,5,7-三烯 3-氧杂-8-硫杂-4-氮杂三环[5.2.2.02,6]十一碳-1(9),2(6),4-三烯 3,6-二氢-2H-噻喃1,1-二氧化 3,6-二氢-2H-噻喃-4-硼酸频哪醇酯 3,6-二氢-2H-噻喃 3,4-二氢-2H-噻喃-5-羧酸1-氧化物 3,4-二氢-2H-噻喃 2H-噻喃-6-甲腈,3,4-二甲基- 2H-噻喃-3(6H)-酮 2-硫杂双环[3.1.0]己-3-烯-6-甲酰肼 2-硫杂-二环[3.1.0]己-3-烯-6-羧酸乙酯 2-甲基-3-硫杂二环[2.2.1]庚-5-烯 2,6-二甲基-4-(2,6-二甲基-4H-硫杂吡喃-4-亚基)-4H-硫杂吡喃 2,6-二氨基-4-苯基-4H-硫代吡喃-3,5-二甲腈 2,5-双(2-乙基己基)-3,6-双(5-(三甲基锡烷基)噻吩-2-基)吡咯并[3,4-c]吡咯-1,4(2H,5H)-二酮 2,4,6-三苯基-2H-噻喃 2'-硫基-2,6,6'-三硫代-2,3,5,5',6,6'-六氢-4H,4'H-3,3'-联噻喃-4,4'-二酮 1-(6-甲基-3,6-二氢-2H-噻喃-2-基)乙酮 (4S,6S)-5,6-二氢-4-羟基-6-甲基噻吩并[2,3-b]噻喃-7,7-二氧化物 (4R,6S)-6-甲基-7,7-二氧化物-5,6-二氢-4H-噻吩并[2,3-b]硫代吡喃-4-基乙酸酯