 Home > Encyclopedia > (1α,2β,4β,5α,7β)-9-Methyl-3-oxa-9-azatricyclo[3.3.1.02,4]non-7-yl α-hydroxy-α-2-thienyl-2-thiopheneacetate

(1α,2β,4β,5α,7β)-9-Methyl-3-oxa-9-azatricyclo[3.3.1.02,4]non-7-yl α-hydroxy-α-2-thienyl-2-thiopheneacetate

(1α,2β,4β,5α,7β)-9-Methyl-3-oxa-9-azatricyclo[3.3.1.02,4]non-7-yl α-hydroxy-α-2-thienyl-2-thiopheneacetate structure

CAS No:
136310-64-0
Formula:
C18H19NO4S2
Chemical Name:
(1α,2β,4β,5α,7β)-9-Methyl-3-oxa-9-azatricyclo[3.3.1.02,4]non-7-yl α-hydroxy-α-2-thienyl-2-thiopheneacetate
Synonyms:
2-Thiopheneacetic acid,α-hydroxy-α-2-thienyl-,(1α,2β,4β,5α,7β)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]non-7-yl ester;2-Thiopheneacetic acid,α-hydroxy-α-2-thienyl-,9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]non-7-yl ester,(1α,2β,4β,5α,7β)-;(1α,2β,4β,5α,7β)-9-Methyl-3-oxa-9-azatricyclo[3.3.1.02,4]non-7-yl α-hydroxy-α-2-thienyl-2-thiopheneacetate;Di(2-thienyl)glycolic acid scopine ester;N-Demethyl tiotropium;Scopine di(2-thienylglycolate);(1α,2β,4β,5α,7β)-7-[(Hydroxydi(2-thienyl)acetyl)oxy]-9-methyl-3-oxa-9-azatricyclo[3.3.1.0]nonane;Scopine hydroxydi(2-thienyl)acetate;Dithienylglycolic acid scopine ester
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

Off-White SolidScopine-2,2-dithienyl glycolate is an organic compound. It is off-white solid. The melting point is 138-140°C. The storage temperature is -20°C. Scopine-2,2-dithienyl glycolate is one of the reaction intermediates in the preparation of tiotropium bromide, which is a highly effective anticholinergic agent and widely used for treatment of asthma and/or chronic obstructive pulmonary disease (COPD) (chronic obstructive pulmonary disease).

(1α,2β,4β,5α,7β)-9-Methyl-3-oxa-9-azatricyclo[3.3.1.02,4]non-7-yl α-hydroxy-α-2-thienyl-2-thiopheneacetate Basic Attributes

Molecular Weight：

377.483

Exact Mass：

377.48

EC Number：

603-953-6

Characteristics

PSA：

119

XLogP3：

2.3

Density：

1.48±0.1 g/cm3(Predicted)

Melting Point：

138-140°C

Boiling Point：

542.3±50.0 °C(Predicted)

Flash Point：

281.7±30.1 °C

Refractive Index：

1.688

Vapor Pressure：

1.37E-12mmHg at 25°C

Safety Information

Precautionary statement(s)：

P201, P202, P260, P261, P262, P264, P270, P271, P280, P281, P284, P301+P310, P302+P350, P302+P352, P304+P340, P305+P351+P338, P308+P313, P310, P311, P312, P314, P320, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P403+P233, P405, P501

Hazard Statements：

H300

GHS Classification：

|Danger|H300 (15.38%): Fatal if swallowed [Danger Acute toxicity, oral]|P201, P202, P260, P261, P264, P270, P271, P280, P281, P301+P310, P302+P352, P304+P340, P305+P351+P338, P308+P313, P311, P312, P314, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 13 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

(1α,2β,4β,5α,7β)-9-Methyl-3-oxa-9-azatricyclo[3.3.1.02,4]non-7-yl α-hydroxy-α-2-thienyl-2-thiopheneacetate Use and Manufacturing

Precursor to Tiotropium Bromide.

Computed Properties

Molecular Weight:377.5
XLogP3:2.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:5
Exact Mass:377.07555043
Monoisotopic Mass:377.07555043
Topological Polar Surface Area:119
Heavy Atom Count:25
Complexity:527
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Scopine-2,2-dithienyl glycolate

CAS No.: 136310-64-0

Content: 99.00%

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Scopine-2,2-dithienyl glycolate

CAS No.: 136310-64-0

Grade: industrial Grade

Content: 98%

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Scopine-2,2-dithienyl glycolate CAS No.136310-64-0

CAS No.: 136310-64-0

Grade: Pharmaceutical grade

Content: 99%

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Guide of (1α,2β,4β,5α,7β)-9-Methyl-3-oxa-9-azatricyclo[3.3.1.02,4]non-7-yl α-hydroxy-α-2-thienyl-2-thiopheneacetate

Description
Basic Attributes
Characteristics
Safety Information
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Computed Properties
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(1α,2β,4β,5α,7β)-9-Methyl-3-oxa-9-azatricyclo[3.3.1.02,4]non-7-yl α-hydroxy-α-2-thienyl-2-thiopheneacetate

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