Propyl p-toluenesulfonate

Base Information

• Chemical Name: Propyl p-toluenesulfonate
• CAS No.: 599-91-7
• Molecular Formula: C10H14 O3 S
• Molecular Weight: 214.285
• Hs Code.: 29041000
• European Community (EC) Number: 209-978-5
• NSC Number: 11005
• UNII: G4M5N22X54
• DSSTox Substance ID: DTXSID9060522
• Nikkaji Number: J135.628C
• Wikidata: Q72503048
• Mol file: 599-91-7.mol

Synonyms:Propyl p-toluenesulfonate;599-91-7;Propyl 4-methylbenzenesulfonate;Propyl tosylate;Benzenesulfonic acid, 4-methyl-, propyl ester;Propyl toluene-4-sulphonate;p-Toluenesulfonic acid, propyl ester;p-Toluenesulfonic acid n-propyl ester;CCRIS 9150;EINECS 209-978-5;NSC 11005;PROPYL 4-TOLUENESULFONATE;G4M5N22X54;p-Toluenesulfonic Acid Propyl Ester;MFCD00059244;NSC-11005;propanol tosylate;propyl 4-toluene-sulfonate;n-propyl p-toluenesulfonate;p-Toluolsulfosaurepropylester;SCHEMBL156710;UNII-G4M5N22X54;AMY846;DTXSID9060522;n-propyl 4-methylbenzenesulfonate;Propyl 4-methylbenzenesulfonate #;propyl 4-methylbenzene-1-sulfonate;NSC11005;toluene-4-sulfonic acid propyl ester;AKOS015891378;p-toluenesulphonic acid-n-propyl ester;p-toluene-sulphonic acid-n-propyl ester;DS-11707;SY053183;LS-182312;CS-0152046;FT-0698661;T0726;F12020;EN300-6740857;A856991;Z1269122153

Chemical Property of Propyl p-toluenesulfonate

Chemical Property:

• Vapor Pressure: 0.000583mmHg at 25°C
• Melting Point: <-20 °C
• Refractive Index: 1.5065-1.5085
• Boiling Point: 320.8°Cat760mmHg
• Flash Point: 147.8°C
• PSA: 51.75000
• Density: 1.146g/cm³
• LogP: 3.19110
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 214.06636548
• Heavy Atom Count: 14
• Complexity: 245

Purity/Quality:

99% , ^*data from raw suppliers

Propyl p-Toluenesulfonate >98.0%(GC) ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 36/37/38-22
• Safety Statements: 37/39-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCOS(=O)(=O)C1=CC=C(C=C1)C
• Uses: Propyl 4-Toluenesulfonate is used as a catalyst for epoxy resins and amine compositions. Propyl 4-Toluenesulfonate is also used in soldering of electronic parts.

Technology Process of Propyl p-toluenesulfonate

There total 12 articles about Propyl p-toluenesulfonate 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: 98.0%

toluene-4-sulfonic acid (104-15-4) + propyloxy(diphenyl)-λ6-sulfanenitrile (143885-02-3) → S,S-diphenylsulphoximine (22731-83-5) + propyl tosylate (599-91-7)

Guidance literature:

In chloroform-d1; at 20 ℃; for 1h;

DOI:10.1002/hc.20006

Reference yield: 96.0%

propan-1-ol (71-23-8) + p-toluenesulfonyl chloride (98-59-9) → propyl tosylate (599-91-7)

Guidance literature:

With pyridine; at 0 ℃; for 3h;

DOI:10.1021/ja963944q

Reference yield: 90.0%

propan-1-ol (71-23-8) + toluene-4-sulfonic acid (104-15-4) → propyl tosylate (599-91-7)

Guidance literature:

toluene-4-sulfonic acid; With potassium phosphate monohydrate; bis(trichloromethyl) carbonate; In dichloromethane; at 0 - 5 ℃; for 0.0833333h;

With triethylamine; In dichloromethane; at 20 ℃; for 0.333333h;

propan-1-ol; With trimethylamine hydrochloride; In dichloromethane; at 20 ℃; for 0.5h;

upstream raw materials:

propan-1-ol

p-toluenesulfonyl chloride

Dipropyl ether

acetyl p-toluenesulfonate

Downstream raw materials:

3-hydroxy-1-propyl-pyridinium; toluene-4-sulfonate

3,8-diamino-6-(4-nitro-phenyl)-5-propyl-phenanthridinium; chloride

N-(5-benzylsulfanyl-3-propyl-3H-[1,3,4]thiadiazol-2-ylidene)-acetamide

3-propoxy-propenal

Refernces

• 1、 Wang, Yang,Deng, Lingling,Deng, Yu,Han, Jianlin. "Copper-Catalyzed Multicomponent Reaction of DABCO·(SO2)2, Alcohols, and Aryl Diazoniums for the Synthesis of Sulfonic Esters". . p. 4674 - 4680. Retrieved 2018/04/26.
• 2、 Gao, Jian,Pan, Xiaojun,Liu, Juan,Lai, Junyi,Chang, Liming,Yuan, Gaoqing. "Iodine-induced synthesis of sulfonate esters from sodium sulfinates and phenols under mild conditions". . p. 27439 - 27442. Retrieved 2015/03/31.