Milategrast

Base Information

Chemical Name:Milategrast
CAS No.:859217-52-0
Molecular Formula:C₂₄H₃₈N₂
Molecular Weight:354.579
Hs Code.:
UNII:YR5R4CIH88
NCI Thesaurus Code:C174949

Synonyms:Milategrast;859217-52-0;Milategrast [INN];1-(cyclopropylmethyl)-4-[2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperazine;YR5R4CIH88;Piperazine, 1-(cyclopropylmethyl)-4-(2-(3,3,5,5-tetramethylcyclohexyl)phenyl)-;UNII-YR5R4CIH88;SCHEMBL1448996;GTPL10463;PGWIKFFLIJECAM-UHFFFAOYSA-N;AKOS040758392;example 9 [US20050261291A1];HY-109151;CS-0116060;1-cyclopropylmethyl-4-[2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperazine

Suppliers and Price of Milategrast

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 1 raw suppliers

Chemical Property of Milategrast

Chemical Property:

XLogP3:6.4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:354.303499221
Heavy Atom Count:26
Complexity:455

Purity/Quality:: 97% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC1(CC(CC(C1)(C)C)C2=CC=CC=C2N3CCN(CC3)CC4CC4)C

Technology Process of Milategrast

There total 3 articles about Milategrast 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:

: 859218-02-3
1-[2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperazine

: 1489-69-6
Cyclopropanecarboxaldehyde

: 859217-52-0
1-cyclopropylmethyl-4-[2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperazine

Guidance literature:: 1-[2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperazine; Cyclopropanecarboxaldehyde; In tetrahydrofuran; at 20 ℃; for 0.0833333h;

With sodium tris(acetoxy)borohydride; acetic acid; In tetrahydrofuran; at 20 ℃; for 2h;

With sodium hydrogencarbonate; In tetrahydrofuran; water; Product distribution / selectivity;

Reference yield:

: 859218-02-3
1-[2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperazine

: 144-55-8
sodium hydrogencarbonate

: 1489-69-6
Cyclopropanecarboxaldehyde

: 859217-52-0
1-cyclopropylmethyl-4-[2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperazine

Guidance literature:: With sodium tris(acetoxy)borohydride; acetic acid; In tetrahydrofuran;

Reference yield:

: CH₃O₃S^(1-)*C₂₄H₃₇N₂⁽¹⁺⁾

: 859217-52-0
1-cyclopropylmethyl-4-[2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperazine

Guidance literature:: CH₃O₃S^(1-)*C₂₄H₃₇N₂⁽¹⁺⁾; With sodium tetrahydroborate; acetic acid; In tetrahydrofuran; at 15 ℃; for 2.5h;

With sodium hydroxide; water; In tert-butyl methyl ether; for 0.2h; Product distribution / selectivity;