Cas no 80745-07-9 (4-methoxy-2,3,6-trimethylbenzene-1-sulfonyl chloride)

4-Methoxy-2,3,6-trimethylbenzene-1-sulfonyl chloride is a specialized sulfonating reagent used in organic synthesis, particularly for introducing sulfonyl groups into target molecules. Its methoxy and trimethyl-substituted aromatic structure enhances reactivity and selectivity in sulfonylation reactions. The compound is valued for its stability under controlled conditions and its utility in producing sulfonamides, sulfonate esters, and other derivatives. Its sterically hindered design can improve regioselectivity in complex transformations. Suitable for use in pharmaceutical and fine chemical applications, this reagent offers consistent performance in demanding synthetic workflows. Proper handling under anhydrous conditions is recommended due to its moisture sensitivity.

4-methoxy-2,3,6-trimethylbenzene-1-sulfonyl chloride structure

80745-07-9 structure

Product Name:4-methoxy-2,3,6-trimethylbenzene-1-sulfonyl chloride

CAS No:80745-07-9

MF:C₁₀H₁₃ClO₃S

MW:248.726421117783

MDL:MFCD00038846

CID:90784

PubChem ID:57652025

Update Time:2025-05-23

4-methoxy-2,3,6-trimethylbenzene-1-sulfonyl chloride Chemical and Physical Properties

Names and Identifiers

- 4-Methoxy-2,3,6-trimethylbenzene-1-sulfonyl chloride
- 4-Methoxy-2,3,6-trimethylbenzenesulphonyl chloride
- 4-METHOXY-2,3,6-TRIMETHYLBENZENESULFONYL CHLORIDE
- Mtr-Cl
- Mtr chloride
- 4-methoxy-2,3,6-trimethyl-benzenesulfonyl chloride
- DWLYVEYCCPEHLX-UHFFFAOYSA-N
- 4-Methoxy-2,3,6-trimethylphenylaulfomyl chloride
- SBB063084
- AK129296
- AX8012108
- 4-Methoxy-2,3,6-trimethylbenzenesulfonylchloride
- chloro(4-methoxy-2,3,6-trimethylphenyl
- 4-methoxy-2,3,6-trimethyl-benzenesul-fonylchloride
- 80745-07-9
- 4-Methoxy-2,3,6-trimethylbenzene-1-sulfonylchloride
- DTXSID00340236
- C10H13ClO3S
- 4-methoxy-2,3,6-trimethylphenylsulfonyl chloride
- SCHEMBL248149
- 4-methoxy-2,3,6-trimethylbenzene-sulfonyl chloride
- A839971
- CS-0187024
- 4-methoxy-2,3,6-trimethylbenzensulfonyl chloride
- (4-methoxy-2,3,6-trimethylphenyl)-sulfonylchloride
- (4-methoxy-2,3,6-trimethylphenyl)sulfonylchloride
- 4-methoxy-2,3,6-trimethylphenylsulfonylchloride
- 4-Methoxy-2,3,6-trimethylbenzenesulfonyl chloride, >=95.0% (HPLC)
- AKOS006222485
- FT-0618874
- MFCD00038846
- DS-6170
- 4-Methoxy-2,3,6-trimethylbenzenesulfonyl chloride (ACI)
- DB-056454
- DTXCID20291317
- 4-methoxy-2,3,6-trimethylbenzene-1-sulfonyl chloride
- MDL： MFCD00038846
- Inchi： 1S/C10H13ClO3S/c1-6-5-9(14-4)7(2)8(3)10(6)15(11,12)13/h5H,1-4H3
- InChI Key： DWLYVEYCCPEHLX-UHFFFAOYSA-N
- SMILES： O=S(C1C(C)=C(C)C(OC)=CC=1C)(Cl)=O
- BRN： 4867665

Computed Properties

Exact Mass: 248.02700
Monoisotopic Mass: 248.0273931g/mol
Isotope Atom Count: 0
Hydrogen Bond Donor Count: 0
Hydrogen Bond Acceptor Count: 3
Heavy Atom Count: 15
Rotatable Bond Count: 2
Complexity: 309
Covalently-Bonded Unit Count: 1
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count : 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Topological Polar Surface Area: 51.8
Surface Charge: 0
Tautomer Count: nothing
XLogP3: 3

Experimental Properties

Color/Form: Light brown powder
Density: 1.250±0.06 g/cm3 (20 oC 760 Torr),
Melting Point: 57-61?°C
Boiling Point: 372.5°C at 760 mmHg
Flash Point: 179.1°C
Refractive Index: 1.521
Solubility: Very slightly soluble (0.2 g/l) (25 o C),
PSA: 51.75000
LogP: 3.62870
Sensitiveness: Moisture Sensitive
Solubility: Not determined

4-methoxy-2,3,6-trimethylbenzene-1-sulfonyl chloride Security Information

Symbol:
Signal Word：Danger
Hazard Statement： H314
Warning Statement： P280-P305+P351+P338-P310
Hazardous Material transportation number：UN 3261 8/PG 3
WGK Germany：3
Hazard Category Code： 34
Safety Instruction： S26-S36/37/39-S45
FLUKA BRAND F CODES：3-10-21
Hazardous Material Identification：
HazardClass：8
PackingGroup：II
Storage Condition：?20°C
Risk Phrases：R34
Packing Group：II
Safety Term：8

4-methoxy-2,3,6-trimethylbenzene-1-sulfonyl chloride Customs Data

HS CODE：2909309090
Customs Data：

China Customs Code:
2909309090

Overview:

2909309090 Other aromatic ethers and their halogenated derivatives\sulfonation\Nitrated derivative(Including nitrosative derivatives).Regulatory conditions:nothing.VAT:17.0%.Tax refund rate:9.0%.MFN tariff:5.5%.general tariff:30.0%

Declaration elements:

Product Name, component content, use to

Summary:

2909309090 other aromatic ethers and their halogenated, sulphonated, nitrated or nitrosated derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%

4-methoxy-2,3,6-trimethylbenzene-1-sulfonyl chloride Pricemore >>

Related Categories	No.	Product Name	Cas No.	Purity	Specification	Price	update time
SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd.	M868881-1g	4-Methoxy-2,3,6-trimethylbenzenesulfonyl Chloride	80745-07-9	95%	1g	527.00	2021-05-17
SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd.	M14000-25g	4-Methoxy-2,3,6-trimethylbenzene-1-sulfonyl chloride	80745-07-9		25g	￥5722.0	2021-09-08
Alichem	A019089602-5g	4-Methoxy-2,3,6-trimethylbenzene-1-sulfonyl chloride	80745-07-9	95%	5g	$213.40	2023-09-01
Alichem	A019089602-25g	4-Methoxy-2,3,6-trimethylbenzene-1-sulfonyl chloride	80745-07-9	95%	25g	$686.40	2023-09-01
Apollo Scientific	OR111378-1g	4-Methoxy-2,3,6-trimethylbenzenesulfonyl chloride	80745-07-9	95%	1g	￡291.00	2025-02-19
eNovation Chemicals LLC	D382708-25g	4-METHOXY-2,3,6-TRIMETHYLBENZENESULFONYL CHLORIDE	80745-07-9	97%	25g	$900	2024-05-24
eNovation Chemicals LLC	D382708-1kg	4-METHOXY-2,3,6-TRIMETHYLBENZENESULFONYL CHLORIDE	80745-07-9	97%	1kg	$7580	2024-05-24
SHANG HAI HAO HONG Biomedical Technology Co., Ltd.	1257694-250mg	4-Methoxy-2,3,6-trimethylbenzene-1-sulfonyl chloride	80745-07-9	95%	250mg	￥918.00	2024-07-28
SHANG HAI HAO HONG Biomedical Technology Co., Ltd.	1257694-1g	4-Methoxy-2,3,6-trimethylbenzene-1-sulfonyl chloride	80745-07-9	95%	1g	￥1998.00	2024-07-28
SHANG HAI HAO HONG Biomedical Technology Co., Ltd.	1257694-5g	4-Methoxy-2,3,6-trimethylbenzene-1-sulfonyl chloride	80745-07-9	95%	5g	￥5614.00	2024-07-28

4-methoxy-2,3,6-trimethylbenzene-1-sulfonyl chloride Production Method

Production Method 1

697-82-5

80745-07-9

Reaction Conditions

Reference

Protecting and restoring guanidino group

, European Patent Organization, , ,

Production Method 2

20469-61-8

80745-07-9

Reaction Conditions

1.1 Reagents: Chlorosulfonic acid Solvents: Dichloromethane ; 0 °C; 1 h, 0 °C

Reference

Ligand-Controlled Diastereodivergency in Propargylic Alkylation of Vinylogous Aza-Enamines: Construction of 1,3-Stereocenters

Ghosh, Suman ; et al, Organic Letters, 2023, 25(40), 7304-7309

Production Method 3

20469-61-8

80745-07-9

Reaction Conditions

1.1 Reagents: Chlorosulfonic acid

Reference

Histidine-containing peptides

, Japan, , ,

Production Method 4

697-82-5

80745-07-9

Reaction Conditions

1.1 Reagents: Sodium hydride Solvents: Tetrahydrofuran ; 0 °C; 1 h, 0 °C
1.2 3 h, 25 °C
2.1 Reagents: Chlorosulfonic acid Solvents: Dichloromethane ; 0 °C; 1 h, 0 °C

Reference

Ligand-Controlled Diastereodivergency in Propargylic Alkylation of Vinylogous Aza-Enamines: Construction of 1,3-Stereocenters

Ghosh, Suman ; et al, Organic Letters, 2023, 25(40), 7304-7309

4-methoxy-2,3,6-trimethylbenzene-1-sulfonyl chloride Raw materials

4-methoxy-2,3,6-trimethylbenzene-1-sulfonyl chloride Preparation Products

4-methoxy-2,3,6-trimethylbenzene-1-sulfonyl chloride (80745-07-9)

4-methoxy-2,3,6-trimethylbenzene-1-sulfonyl chloride Suppliers

Suzhou Senfeida Chemical Co., Ltd

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Audited Supplier

(CAS:80745-07-9)4-methoxy-2,3,6-trimethylbenzenesulfonyl chloride

Order Number:sfd1877

Stock Status:in Stock

Quantity:200kg

Purity:99.9%

Pricing Information Last Updated:Friday, 19 July 2024 14:32

Price ($):discuss personally

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80745-07-9 (4-methoxy-2,3,6-trimethylbenzene-1-sulfonyl chloride) Related Products

Recommended suppliers

Suzhou Senfeida Chemical Co., Ltd

(CAS:80745-07-9)4-methoxy-2,3,6-trimethylbenzenesulfonyl chloride

Purity:99.9%

Quantity:200kg

Price ($):Inquiry

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Cas no 80745-07-9 (4-methoxy-2,3,6-trimethylbenzene-1-sulfonyl chloride)

4-methoxy-2,3,6-trimethylbenzene-1-sulfonyl chloride Chemical and Physical Properties

Names and Identifiers

Computed Properties

Experimental Properties

4-methoxy-2,3,6-trimethylbenzene-1-sulfonyl chloride Security Information

4-methoxy-2,3,6-trimethylbenzene-1-sulfonyl chloride Customs Data

China Customs Code:

Overview:

Declaration elements:

Summary:

4-methoxy-2,3,6-trimethylbenzene-1-sulfonyl chloride Pricemore >>

4-methoxy-2,3,6-trimethylbenzene-1-sulfonyl chloride Production Method

Production Method 1

Production Method 2

Production Method 3

Production Method 4

4-methoxy-2,3,6-trimethylbenzene-1-sulfonyl chloride Raw materials

4-methoxy-2,3,6-trimethylbenzene-1-sulfonyl chloride Preparation Products

4-methoxy-2,3,6-trimethylbenzene-1-sulfonyl chloride Suppliers

4-methoxy-2,3,6-trimethylbenzene-1-sulfonyl chloride Related Literature

80745-07-9 (4-methoxy-2,3,6-trimethylbenzene-1-sulfonyl chloride) Related Products