CID 53401856

Base Information

• Chemical Name: CID 53401856
• CAS No.: 41372-34-3
• Molecular Formula: C₄H₉NO
• Molecular Weight: 87.1216
• Hs Code.: 2922199090
• DSSTox Substance ID: DTXSID40694967
• Mol file: 41372-34-3.mol

Synonyms:41372-34-3;DTXSID40694967;AKOS017407387

Chemical Property of CID 53401856

Chemical Property:

• Boiling Point: 187℃
• Flash Point: 67℃
• PSA: 46.25000
• Density: 0.974
• LogP: 0.19390
• XLogP3: -1.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 87.068413911
• Heavy Atom Count: 6
• Complexity: 42.8

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C(C=CCO)N

Technology Process of CID 53401856

There total 4 articles about CID 53401856 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:

(Z)-2-(4-hydroxybut-2-en-1-yl)isoindoline-1,3-dione → 4-amino-2-cis-buten-1-ol (41372-34-3,59718-83-1)

Guidance literature:

With hydrazine hydrate; In ethanol; water; for 2h; Reflux;

DOI:10.1016/j.tetlet.2013.09.093

Reference yield:

(Z)-4-((tert-butyldimethylsilyl)oxy)but-2-en-1-amine (701907-02-0) → 4-amino-2-cis-buten-1-ol (41372-34-3,59718-83-1)

Guidance literature:

With hydrogenchloride; at 20 ℃; for 2h;

DOI:10.1021/jm0606600

Reference yield:

3,6-dihydro-2H-[1,2]oxazine (3686-43-9) → 4-amino-2-cis-buten-1-ol (41372-34-3,59718-83-1)

Guidance literature:

With acetic acid; zinc;

upstream raw materials:

3,6-dihydro-2H-[1,2]oxazine

acetic acid

(Z)-4-((tert-butyldimethylsilyl)oxy)but-2-en-1-amine

Downstream raw materials:

2-tert-Butyl-5-((Z)-4-hydroxy-but-2-enylamino)-4,4-dimethoxy-cyclohex-2-enone

4-(tert-butoxycarbonylamino)-cis-2-buten-1-ol

Refernces

• 1、 Marsault, Eric,Hoveyda, Hamid R.,Peterson, Mark L.,Saint-Louis, Carl,Landry, Annick,Vézina, Martin,Quellet, Luc,Wang, Zhigang,Ramaseshan, Mahesh,Beaubien, Sylvie,Benakli, Kamel,Beauchemin, Sophie,Déziel, Robert,Peeters, Théo,Fraser, Graeme L.. "Discovery of a new class of macrocyclic antagonists to the human motilin receptor". . p. 7190 - 7197. Retrieved 2007/10/03.