3-Methoxybenzenethiol

Base Information

• Chemical Name: 3-Methoxybenzenethiol
• CAS No.: 15570-12-4
• Molecular Formula: C7H8OS
• Molecular Weight: 140.206
• Hs Code.: 29309070
• European Community (EC) Number: 239-617-7
• UNII: GU3GP933SP
• DSSTox Substance ID: DTXSID3074652
• Nikkaji Number: J149.910F
• Wikidata: Q72489124
• ChEMBL ID: CHEMBL122066
• Mol file: 15570-12-4.mol

Synonyms:3-Methoxybenzenethiol;15570-12-4;3-Methoxythiophenol;Benzenethiol, 3-methoxy-;3-methoxybenzenthiol;3-Methoxy thiophenol;m-Methoxythiophenol;3-Mercaptoanisole;m-methoxybenzenethiol;meta-Methoxybenzenethiol;3-Methoxy-benzenethiol;3-METHOXYBENZENE-1-THIOL;GU3GP933SP;EINECS 239-617-7;m-Methoxybenzenethiol;Benzenethiol, m-methoxy- (6CI,7CI,8CI);3-methoxy-thiophenol;3-methoxy -thiophenol;3-methyloxy-benzenethiol;m-Methoxy phenyl mercaptan;UNII-GU3GP933SP;3-Methoxythiophenol, 98%;SCHEMBL6767;(M-METHOXYPHENYL)THIOL;CHEMBL122066;BENZENETHIOL, M-METHOXY-;DTXSID3074652;QMVAZEHZOPDGHA-UHFFFAOYSA-;AMY21950;STR02060;MFCD00004841;AKOS005257798;PS-3033;BP-10733;CS-0008476;FT-0616022;FT-0616023;M1194;EN300-26755;D78387;J-512783

Chemical Property of 3-Methoxybenzenethiol

Chemical Property:

• Appearance/Colour: clear colorless to light yellow liquid
• Vapor Pressure: 0.143mmHg at 25°C
• Melting Point: 264.4-268.3 °C (decomp)
• Refractive Index: n20/D 1.587(lit.)
• Boiling Point: 223.5 °C at 760 mmHg
• PKA: 6.36±0.10(Predicted)
• Flash Point: 96.1 °C
• PSA: 48.03000
• Density: 1.112 g/cm³
• LogP: 1.98390
• Storage Temp.: 2-8°C
• Sensitive.: Stench
• Water Solubility.: Not miscible or difficult to mix in water. Soluble in methanol, benzene, hexane, toluene and dichloromethane.
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 140.02958605
• Heavy Atom Count: 9
• Complexity: 85

Purity/Quality:

99% ^*data from raw suppliers

3-Methoxybenzenethiol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi,Xn
• Hazard Codes: Xn,Xi
• Statements: 20/21/22-36/37/38-22
• Safety Statements: 26-36/37-37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=CC=C1)S
• Uses: Labelled analogue 3-Methoxy cy as phencyclidine but differs in terms binding affinity. 3-Methoxy 3-Methoxythiophenol is used in the preparation of allenes.

Technology Process of 3-Methoxybenzenethiol

There total 21 articles about 3-Methoxybenzenethiol which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 89.0%

3-methoxy-1-iodobenzene (766-85-8) → 3-methoxybenzenethiol (15570-12-4)

Guidance literature:

3-methoxy-1-iodobenzene; With copper(l) iodide; potassium carbonate; sulfur; In N,N-dimethyl-formamide; at 90 ℃; for 12h; Inert atmosphere;

With sodium tetrahydroborate; In N,N-dimethyl-formamide; at 40 ℃; Inert atmosphere; Cooling with ice;

DOI:10.1021/ol902186d

Reference yield: 88.0%

1-methoxy-3-methylsulfanyl-benzene (2388-74-1) → 3-methoxybenzenethiol (15570-12-4)

Guidance literature:

With N,N,N,N,N,N-hexamethylphosphoric triamide; sodium hydride; diethylamine; In xylene; for 6h; Heating;

DOI:10.1055/s-1982-29868

Reference yield:

(3S,3aR,4S,6aR,9S,9aR,9bR)-4-Hydroxy-3-(3-methoxy-phenylsulfanylmethyl)-9-methyl-6-methylene-octahydro-azuleno[4,5-b]furan-2,8-dione (248584-43-2) → grosheimin (22489-66-3) + 3-methoxybenzenethiol (15570-12-4)

Guidance literature:

With phosphate buffer; In methanol; at 37 ℃; pH=7.4; Kinetics;

DOI:10.1016/S0223-5234(99)80100-7

upstream raw materials:

m-Anisidine

methoxybenzene

1-methoxy-3-methylsulfanyl-benzene

[(3-methoxyphenyl)sulfanyl]acetic acid

Downstream raw materials:

3-(3-methoxy-phenylsulfanyl)-3-(3-nitro-phenyl)-1-phenyl-propan-1-one

(2-methoxy-phenyl)-(3-methoxy-phenyl)-sulfide

3-methoxy-benzenesulfonic acid

2-<(3-Methoxyphenyl)thio>-1-phenylethanone

Refernces

• 1、 -. "Method for preparing substituted thiophenol and heterocyclic thiophenol by continuous flow reactor". Paragraph 0081-0082; 0085-0086; 0087-0088; 0091-0092. . Retrieved 2019/01/14.
• 2、 Qiao, Zongjun,Jiang, Xuefeng. "Ligand-Controlled Divergent Cross-Coupling Involving Organosilicon Compounds for Thioether and Thioester Synthesis". . p. 1550 - 1553. Retrieved 2016/05/02.