Resorcinol monoacetate

Base Information

• Chemical Name: Resorcinol monoacetate
• CAS No.: 102-29-4
• Molecular Formula: C8H8 O3
• Molecular Weight: 152.15
• Hs Code.: 29153900
• European Community (EC) Number: 203-022-0
• NSC Number: 758475,40511
• UNII: YL6O37RD1S
• DSSTox Substance ID: DTXSID6045901
• Nikkaji Number: J5.006G
• Wikidata: Q27110220
• NCI Thesaurus Code: C84136
• Metabolomics Workbench ID: 67491
• ChEMBL ID: CHEMBL1593874
• Mol file: 102-29-4.mol

Synonyms:resorcinol monoacetate

Chemical Property of Resorcinol monoacetate

Chemical Property:

• Appearance/Colour: clear brown to yellow brown viscous liquid
• Vapor Pressure: 1.81E-05mmHg at 25°C
• Melting Point: 129-133 ºC
• Refractive Index: n20/D 1.537(lit.)
• Boiling Point: 283 °C(lit.)
• PKA: 9.20±0.10(Predicted)
• Flash Point: >230 °F
• PSA: 46.53000
• Density: 1.223 g/mL at 25 °C(lit.)
• LogP: 1.31750
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 152.047344113
• Heavy Atom Count: 11
• Complexity: 144

Purity/Quality:

98%,99%, ^*data from raw suppliers

ResorcinolMonoacetate(ResorcinMonoacetate) ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn,Xi,N
• Statements: 22-37/38-41-43-36/37/38-50-38
• Safety Statements: 26-36/37/39-36-61

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OC1=CC=CC(=C1)O
• Uses: antiviral In tanning, photography; manufacture of resins, resin adhesives, hexylresorcinol, p-aminosalicylic acid, explosives, dyes, tires, rubber products; in cosmetics; dyeing and printing textiles; as a reagent for zinc. Resorcin Monoacetate, is a derivative of Resorcinol (R144700), a benzene derivative used as keratolytic and antiseborrheic.

Technology Process of Resorcinol monoacetate

There total 46 articles about Resorcinol monoacetate 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%

Resorcinol diacetate (108-58-7) → Resorcinol monoacetate (102-29-4)

Guidance literature:

With sodium tetrahydroborate; cobalt(II) chloride; In ethanol; at 0 - 25 ℃; for 10h;

DOI:10.1016/j.tetlet.2008.04.007

Reference yield: 98.0%

C14H22O3Si (1350930-46-9) → Resorcinol monoacetate (102-29-4)

Guidance literature:

With potassium fluoride; Tetraethylene glycol; at 20 ℃; for 0.333333h; chemoselective reaction;

DOI:10.1039/c1ob06300f

Reference yield: 96.0%

acetic acid (64-19-7,77671-22-8) + recorcinol (108-46-3) → Resorcinol monoacetate (102-29-4)

Guidance literature:

With 50wtpercent Cs_2.5H_0.5PW₁₂O₄₀ supported on MCM-41; In acetonitrile; at 50 ℃; for 0.5h;

DOI:10.1007/s12039-012-0291-8

upstream raw materials:

acetic anhydride

acetic acid

recorcinol

acetyl chloride

Downstream raw materials:

3-(4-Acetoxy-2-hydroxy-phenyl)-3-(2-methoxycarbonyl-ethylsulfanyl)-propionic acid methyl ester

3-(2-Acetoxy-6-hydroxy-phenyl)-3-(2-methoxycarbonyl-ethylsulfanyl)-propionic acid methyl ester

recorcinol

3-(2-methoxyethoxy)phenol

Refernces

• 1、 Gadekar, Pradip K.,Hoermann, Maryann,Corbo, Faith,Sharma, Rajiv,Sarveswari,Roychowdhury, Abhijit. "Reductive removal of methoxyacetyl protective group using sodium borohydride". . p. 503 - 506. Retrieved 2014.
• 2、 Gupta, Manjulla,Gupta, Monika. "Doping of copper (I) oxide onto a solid support as a recyclable catalyst for acetylation of amines/alcohols/phenols and synthesis of trisubstituted imidazole". . p. 231 - 241. Retrieved 2016.
• 3、 Schmidt, Nina G.,Kroutil, Wolfgang. "Acyl Donors and Additives for the Biocatalytic Friedel–Crafts Acylation". . p. 5865 - 5871. Retrieved 2017.
• 4、 Nair, Ranjeet V.,Shukla, Manojkumar R.,Patil, Prashant N.,Salunkhe, Manikrao M.. "Lipase PS-C catalysed hydrolysis of aryl diesters: A new route to the synthesis of achiral half esters". . p. 1671 - 1677. Retrieved 1999.
• 5、 Norén, Rolf. "Evaluation of 2-(piperidine-1-yl)-ethyl (PIP) as a protecting group for phenols: Stability to ortho-lithiation conditions and boiling concentrated hydrobromic acid, orthogonality with most common protecting group classes, and deprotection via Cope elimination or by mild Lewis acids". . . Retrieved 2021/04/07.