3-Amino-1,2-propanediol

Base Information

• Chemical Name: 3-Amino-1,2-propanediol
• CAS No.: 616-30-8
• Deprecated CAS: 13552-31-3,98923-21-8,586415-75-0
• Molecular Formula: C₃H₉NO₂
• Molecular Weight: 91.11
• Hs Code.: 29221980
• European Community (EC) Number: 210-475-8
• NSC Number: 67381
• UNII: RH369P864X
• DSSTox Substance ID: DTXSID30862294
• Nikkaji Number: J1.661F
• Wikidata: Q27288116
• Mol file: 616-30-8.mol

Synonyms:1-aminopropanediol;1-aminopropanediol, (+-)-isomer;3-amino-1,2-propanediol

Chemical Property of 3-Amino-1,2-propanediol

Chemical Property:

• Appearance/Colour: clear colorless to pale yellow viscous liquid
• Vapor Pressure: 0.00116mmHg at 25°C
• Melting Point: 55-57 °C
• Refractive Index: n20/D 1.492(lit.)
• Boiling Point: 266.7 °C at 760 mmHg
• PKA: 12.11±0.35(Predicted)
• Flash Point: 115.1 °C
• PSA: 66.48000
• Density: 1.181 g/cm³
• LogP: -1.00140
• Storage Temp.: Store below +30°C.
• Sensitive.: Hygroscopic
• Solubility.: >1000g/l soluble
• Water Solubility.: soluble
• XLogP3: -2
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 91.063328530
• Heavy Atom Count: 6
• Complexity: 32

Purity/Quality:

98% ^*data from raw suppliers

3-Amino-1,2-propandiol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C, Xi
• Hazard Codes: C,Xi
• Statements: 34-36/37/38
• Safety Statements: 26-36/37/39-45-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(C(CO)O)N
• Description: 3-Amino-1,2-propanediol (APD) is a calcium metabolism regulator useful in the treatment of Paget's disease, tumor-induced hypercalcemia and other bone disorders involving increased osteoclastic activity.
• Uses: 3-Amino-1,2-propanediol is used in the preparation of iohexol, which is a X-CT non-ionic contrast medium. It acts as a starting material in the production of specialty materials.

Technology Process of 3-Amino-1,2-propanediol

There total 16 articles about 3-Amino-1,2-propanediol 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: 94.5%

Glyceraldehyde (56-82-6,367-47-5,26793-98-6) → 3-Amino-1,2-propanediol (616-30-8,13552-31-3,98923-21-8)

Guidance literature:

With ammonia; active charcoal; palladium; In water;

Reference yield: 89.0%

4-aminomethyl-2,2-dimethyl[1,3]dioxolane (22195-47-7,96894-67-6) → 3-Amino-1,2-propanediol (616-30-8,13552-31-3,98923-21-8)

Guidance literature:

With sulfuric acid; In water; at 70 ℃; for 3h; Temperature; Reagent/catalyst;

Reference yield: 84.0%

oxiranyl-methanol (556-52-5) → 3-Amino-1,2-propanediol (616-30-8,13552-31-3,98923-21-8)

Guidance literature:

With ammonia; In water; at 15 ℃; for 9h;

upstream raw materials:

2-hydroxy-3-methoxypropylamine

N-(2,3-dibromo-propyl)-acetamide

oxiranyl-methanol

3-monochloro-1,2-propanediol

Downstream raw materials:

glycerol

3-(ethylamino)-1,2-propanediol

3-(4,5-dimethyl-2-nitro-anilino)-propane-1,2-diol

3-(5-chloro-2-nitro-anilino)-propane-1,2-diol

Refernces

• 1、 -. "PROCESS FOR THE HYDROLYSIS OR ALCOHOLYSIS OF CYCLIC KETAL OR ACETAL GROUPS WITH CARBON DIOXIDE OR AN ALCOHOL". Page/Page column 7. . Retrieved 2019/02/13.
• 2、 Liang, Guanfeng,Wang, Aiqin,Li, Lin,Xu, Gang,Yan, Ning,Zhang, Tao. "Production of Primary Amines by Reductive Amination of Biomass-Derived Aldehydes/Ketones". supporting information. p. 3050 - 3054. Retrieved 2017/03/14.