Upacicalcet

Base Information

Chemical Name:Upacicalcet
CAS No.:1333218-50-0
Molecular Formula:C₁₁H₁₄ClN₃O₆S
Molecular Weight:351.768
Hs Code.:
UNII:5C1222PBE2
Wikipedia:Upacicalcet
Wikidata:Q107395077
NCI Thesaurus Code:C166837

Synonyms:(2S)-2-amino-3-((3-chloro-2-methyl-5-sulfophenyl)carbamoylamino)propanoic acid;upacicalcet

Suppliers and Price of Upacicalcet

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 2 raw suppliers

Chemical Property of Upacicalcet

Chemical Property:

XLogP3:-2.9
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:5
Exact Mass:351.0291840
Heavy Atom Count:22
Complexity:522

Purity/Quality:: ≥95% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC1=C(C=C(C=C1Cl)S(=O)(=O)O)NC(=O)NCC(C(=O)O)N
Isomeric SMILES:CC1=C(C=C(C=C1Cl)S(=O)(=O)O)NC(=O)NC[C@@H](C(=O)O)N

Technology Process of Upacicalcet

There total 5 articles about Upacicalcet 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: 91.1%

: C₂₀H₃₀ClN₃O₈S*C₆H₁₅N

: 1333218-50-0
(2S)-2-amino-3-{[(3-chloro-2-methyl-5-sulphophenyl)carbamoyl]amino}propanoic acid

Guidance literature:: With hydrogenchloride; In water; at 70 ℃; for 1h; Temperature; Reagent/catalyst;

Reference yield:

: C₁₄H₁₂ClNO₅S

: Boc-DAP-OH

: 1333218-50-0
(2S)-2-amino-3-{[(3-chloro-2-methyl-5-sulphophenyl)carbamoyl]amino}propanoic acid

Guidance literature:: C₁₄H₁₂ClNO₅S; Boc-DAP-OH; With triethylamine; In acetonitrile; at 40 ℃; for 2h;

In methanesulfonic acid; at 50 ℃; for 5.5h;

Reference yield:

: 6387-27-5
3-amino-5-chloro-4-methylbenzenesulfonic acid

: 1333218-50-0
(2S)-2-amino-3-{[(3-chloro-2-methyl-5-sulphophenyl)carbamoyl]amino}propanoic acid

Guidance literature:: Multi-step reaction with 2 steps

1.1: pyridine / acetonitrile / 0.5 h / 25 °C

1.2: 3 h / 25 °C

2.1: hydrogenchloride / water / 1 h / 70 °C

With pyridine; hydrogenchloride; In water; acetonitrile;