Sodium propan-2-olate

Base Information

• Chemical Name: Sodium propan-2-olate
• CAS No.: 683-60-3
• Molecular Formula: C3H7NaO
• Molecular Weight: 82.0777
• Hs Code.: 2915900090
• European Community (EC) Number: 211-673-7
• DSSTox Substance ID: DTXSID20890521
• Nikkaji Number: J25.060K
• Mol file: 683-60-3.mol

Synonyms:2-Propanol,sodium salt (9CI);Isopropyl alcohol, sodium salt (8CI);Sodium isopropoxide(6CI,7CI);Isopropanol sodium salt;Isopropoxysodium;Sodium isopropanolate;Sodium isopropyl oxide;Sodium isopropylate;

Chemical Property of Sodium propan-2-olate

Chemical Property:

• Appearance/Colour: Yellow-brown crystals similar to alcohol
• Vapor Pressure: 81.3mmHg at 25°C
• Melting Point: 70-75 °C
• Refractive Index: 1.409
• Boiling Point: 73°C at 760 mmHg
• Flash Point: -19°C
• PSA: 23.06000
• Density: 0.9 g/cm³
• LogP: 0.82530
• Sensitive.: Moisture Sensitive
• Solubility.: Soluble in tetrahydrofuran.
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 82.03945912
• Heavy Atom Count: 5
• Complexity: 14.4

Purity/Quality:

99.9% ^*data from raw suppliers

Sodium isopropoxide, 99% 99% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C,F
• Hazard Codes: C,F
• Statements: 11-34-41
• Safety Statements: 16-26-43-45-36/37/39-27

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Metals -> Metal Alkoxides
• Canonical SMILES: CC(C)[O-].[Na+]
• Uses: Sodium isopropoxide is used in the preparation of ibuprofen intermediate. It is involved in reactions such as polymerization of butadiene. Further, it acts as a catalyst in the manufacturing of acetone and its derivatives. In addition, it is used as a solvent and serves as an antiseptic.

Technology Process of Sodium propan-2-olate

There total 11 articles about Sodium propan-2-olate 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:

isopropyl alcohol (67-63-0,8013-70-5) → sodium isopropylate (683-60-3)

Guidance literature:

With sodium; at 60 - 90 ℃; for 1h; Product distribution / selectivity;

Reference yield:

phenyl trimethylsiloxane (2996-92-1,46143-12-8) + isopropyl alcohol (67-63-0,8013-70-5) → sodium-bond phenylsilsesquioxane + tetrasodium salt of double-decker phenylsilsesquioxane + sodium isopropylate (683-60-3)

Guidance literature:

With sodium hydroxide; In water; at 20 ℃; for 4.25h; Overall yield = 22.15 g; Reflux;

DOI:10.1002/ejic.201300283

Reference yield:

di-isopropyl ether (108-20-3) + n-pentylsodium (1822-71-5) → sodium isopropylate (683-60-3) + allyl sodium (2521-40-6)

Guidance literature:

With pentane;

DOI:10.1021/ja01196a067

upstream raw materials:

di-isopropyl ether

n-pentylsodium

pentane

isopropyl alcohol

Downstream raw materials:

2-butyl ethyl ether

3-isopropoxyprop-1-ene

1-(4-methoxyphenyl)-1-phenylmethanol

1,1-Diphenylmethanol

Refernces

• 1、 -. "Synthesis and application of 1-benzyl-4-methyl-5-alkoxy-1, 2, 3, 6-tetrahydropyridine derivative". Paragraph 0119-0122. . Retrieved 2021/04/14.
• 2、 Caner, Joaquim,Iwasawa, Nobuharu,Saito, Takanobu,Toriumi, Naoyuki. "Rhodium-Catalyzed meta-Selective C?H Carboxylation Reaction of 1,1-Diarylethylenes via Hydrorhodation-Rhodium Migration". supporting information. p. 23349 - 23356. Retrieved 2021/09/18.