Benzo[b]thiophene,2-methyl-

CAS

1195-14-8

Catalog Number

ACM1195148

Category

Other Products

Molecular Weight

148.2248

Molecular Formula

C9H8 S

MSDS COA Spec Sheet

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Specification

Synonyms

2-Methylthioindene, 2-Methylthianaphthene, 2-Methyl-1-thiaindene, 2-Methylbenzothiophene, Benzo[b]thiophene, 2-methyl-, 2-Methylbenzo[b]thiophene, 2-Methylbenzo(b)thiophene, 2-Methyl-1-benzothiophene, 467456_ALDRICH, NSC18869, EINECS 214-792-2, NSC 18869, ZINC01561920, Benzo(b)thiophene, 2-methyl- (8CI)(9CI), 1195-14-8, InChI=1/C9H8S/c1-7-6-8-4-2-3-5-9(8)10-7/h2-6H,1H

IUPAC Name

2-methyl-1-benzothiophene

Canonical SMILES

CC1=CC2=CC=CC=C2S1

InChI Key

BLZKSRBAQDZAIX-UHFFFAOYSA-N

Boiling Point

243ºC at 760mmHg

Melting Point

48-53ºC

Flash Point

72.4ºC

Density

1.146g/cm³

Appearance

beige to brownish low melting solid

EC Number

214-792-2

Exact Mass

148.03500

Hazard Statements

H-Bond Acceptor

H-Bond Donor

Upstream Synthesis Route 1

569650-91-5
15719-64-9

1195-14-8
17890-56-1
17375-82-5
75894-07-4

Reference: [1] Journal of the American Chemical Society, 1952, vol. 74, p. 766

Downstream Synthesis Route 1

1195-14-8

10243-15-9

Reference: [1] Tetrahedron, 2007, vol. 63, # 38, p. 9482 - 9487

Downstream Synthesis Route 2

1195-14-8
98-88-4

65628-46-8

Reference: [1]Vekariya, Rakesh H.; Aubé, Jeffrey
[Organic Letters, 2016, vol. 18, # 15, p. 3534 - 3537]
[2]Croisy; Mispelter; Lhoste; et al.
[Journal of Heterocyclic Chemistry, 1984, vol. 21, # 2, p. 353 - 359]
[3]Gaertner
[Journal of the American Chemical Society, 1952, vol. 74, p. 766]

Downstream Synthesis Route 3

1195-14-8

10243-15-9

Reference: [1]Current Patent Assignee: DOMAIN THERAPEUTICS SA - WO2021/23813, 2021, A1
Location in patent: Page/Page column 52; 57

Downstream Synthesis Route 4

1195-14-8

6224-55-1

Reference: [1]Bresciani, Giulio; Ciancaleoni, Gianluca; Crucianelli, Marcello; Gemmiti, Mario; Marchetti, Fabio; Pampaloni, Guido
[Molecular catalysis, 2021, vol. 516]

* For details of the synthesis route, please refer to the original source to ensure accuracy.

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