(1Z)-N',3-Dihydroxypropanimidamide

Base Information

• Chemical Name: (1Z)-N',3-Dihydroxypropanimidamide
• CAS No.: 53370-50-6
• Molecular Formula: C3H8N2O2
• Molecular Weight: 104.109
• Hs Code.: 2925290090
• European Community (EC) Number: 800-590-7
• DSSTox Substance ID: DTXSID60968016
• Mol file: 53370-50-6.mol

Synonyms:53370-50-6;(1Z)-N',3-DIHYDROXYPROPANIMIDAMIDE;3,N-Dihydroxy-propionamidine;1456627-70-5;N,3-Dihydroxypropanimidamide;SCHEMBL458193;SCHEMBL12127643;DTXSID60968016;MFCD09044306;AKOS000128057;LS-04710;(Z)-N',3-DIHYDROXYPROPANIMIDAMIDE;EN300-65286;(1Z)-N',3-Dihydroxypropanimidamide, AldrichCPR

Chemical Property of (1Z)-N',3-Dihydroxypropanimidamide

Chemical Property:

• Melting Point: 92-94 °C
• Boiling Point: 334.8oC at 760 mmHg
• PKA: 14.17±0.10(Predicted)
• Flash Point: 156.3oC
• PSA: 76.34000
• Density: 1.36g/cm3
• LogP: -0.18450
• XLogP3: -1.4
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 104.058577502
• Heavy Atom Count: 7
• Complexity: 71.3

Purity/Quality:

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

(1Z)-N'',3-dihydroxypropanimidamide ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CO)C(=NO)N
• Isomeric SMILES: C(CO)/C(=N/O)/N

Technology Process of (1Z)-N',3-Dihydroxypropanimidamide

There total 4 articles about (1Z)-N',3-Dihydroxypropanimidamide 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: 90.0%

3-Hydroxypropionitrile (109-78-4) → 3,N-dihydroxypropionamidine (53370-50-6,1456627-70-5)

Guidance literature:

With hydroxylamine; at 0 - 25 ℃; for 16h;

DOI:10.1021/acs.oprd.1c00401

Reference yield: 60.0%

3-Hydroxypropionitrile (109-78-4) → 3-hydroxypropionamide oxime (53370-50-6,1456627-70-5)

Guidance literature:

With hydroxylamine; at 40 ℃; for 8h;

Reference yield: 22.0%

3-Hydroxypropionitrile (109-78-4) → 2'-hydroxyethylamidoxime (53370-50-6,1456627-70-5)

Guidance literature:

With hydroxylamine hydrochloride; sodium; In methanol; for 72h;

DOI:10.1021/jm00107a032

upstream raw materials:

3-Hydroxypropionitrile

Downstream raw materials:

3-(2'-hydroxyethyl)-5-phenyl-1,2,4-oxadiazole

C₂₇H₃₁N₅O₅

2-{5-[3-chloro-5-(3,3-dichloro-allyloxy)-2-methoxy-phenyl]-[1,2,4]oxadiazol-3-yl}-ethanol

Refernces

• 1、 Palumbo Piccionello, Antonio,Guarcello, Annalisa,Pace, Andrea,Buscemi, Silvestre. "Synthesis of isoxazoline derivatives through boulton-katritzky rearrangement of 1,2,4-oxadiazoles". . p. 1986 - 1992. Retrieved 2013/05/09.
• 2、 -. "SUBSTITUTED PIPERIDINES". Page/Page column 16. . Retrieved 2010/12/29.