2,3-Naphthalenediol, 5-((2R)-3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)-1,2,3,4-tetrahydro-, (2S,3R)-rel-

Base Information

• Chemical Name: 2,3-Naphthalenediol, 5-((2R)-3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)-1,2,3,4-tetrahydro-, (2S,3R)-rel-
• CAS No.: 98391-45-8
• Molecular Formula: C₁₇H₂₇NO₄
• Molecular Weight: 309.406
• UNII: 4HM3L89S6A
• Nikkaji Number: J624.940J
• Wikidata: Q27129887
• Metabolomics Workbench ID: 61342
• ChEMBL ID: CHEMBL255028

Synonyms:SQ-12182;(2R,3S,2'S)-nadolol;UNII-4HM3L89S6A;SQ 12182;4HM3L89S6A;CHEBI:60922;2,3-Naphthalenediol, 5-(((2R)-3-((1,1-dimethylethyl)amino)-2-hydroxypropyl)oxy)-1,2,3,4-tetrahydro-, (2S,3R)-rel;2,3-Naphthalenediol, 5-((2R)-3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)-1,2,3,4-tetrahydro-, (2S,3R)-rel-;98391-45-8;(2R,3S)-5-{[(2S)-3-(tert-butylamino)-2-hydroxypropyl]oxy}-1,2,3,4-tetrahydronaphthalene-2,3-diol;2,3-Naphthalenediol, 5-(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)-1,2,3,4-tetrahydro-, (2alpha,3alpha,5(S*))-;2,3-Naphthalenediol, 5-(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)-1,2,3,4-tetrahydro-, (2alpha,3alpha,5(S*))-(+/-)-;54933-36-7;S-NADOLOL;SCHEMBL124014;CHEMBL255028;SQ-12151;Q27129887;2,3-NAPHTHALENEDIOL, 5-(3-((1,1-DIMETHYLETHYL)AMINO)-2-HYDROXYPROPOXY)-1,2,3,4-TETRAHYDRO-, (2.ALPHA.,3.ALPHA.,5(S*))-;2,3-NAPHTHALENEDIOL, 5-(3-((1,1-DIMETHYLETHYL)AMINO)-2-HYDROXYPROPOXY)-1,2,3,4-TETRAHYDRO-, (2.ALPHA.,3.ALPHA.,5(S*))-(+/-)-

Chemical Property of 2,3-Naphthalenediol, 5-((2R)-3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)-1,2,3,4-tetrahydro-, (2S,3R)-rel-

Chemical Property:

• XLogP3: 0.7
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 309.19400834
• Heavy Atom Count: 22
• Complexity: 344

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)(C)NCC(COC1=CC=CC2=C1CC(C(C2)O)O)O
• Isomeric SMILES: CC(C)(C)NC[C@@H](COC1=CC=CC2=C1C[C@@H]([C@@H](C2)O)O)O

Technology Process of 2,3-Naphthalenediol, 5-((2R)-3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)-1,2,3,4-tetrahydro-, (2S,3R)-rel-

There total 3 articles about 2,3-Naphthalenediol, 5-((2R)-3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)-1,2,3,4-tetrahydro-, (2S,3R)-rel- 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:

diacetyl nadolol → (+/-)-nadolol (42200-33-9,54933-33-4,54933-34-5,54933-35-6,54933-36-7,80844-55-9,98391-45-8)

Guidance literature:

With phosphate buffer; at 75 ℃; Rate constant; Kinetics; Thermodynamic data; ΔS<*>, E_a, pH dependence, shelf-life;

DOI:10.1002/jps.2600761215

Reference yield:

→ (+/-)-nadolol (42200-33-9,54933-33-4,54933-34-5,54933-35-6,54933-36-7,80844-55-9,98391-45-8)

Guidance literature:

Aus 2,3-cis-1,2,3,4-Tetrahydro-S-<2,3-(epoxy)propoxy>-2,3-naphthalindiol und tert.-Butylamin;

Reference yield:

→ (2R,3R)-5-(3-tert-Butylamino-2-hydroxy-propoxy)-1,2,3,4-tetrahydro-naphthalene-2,3-diol (42200-33-9,54933-33-4,54933-34-5,54933-35-6,54933-36-7,80844-55-9,98391-45-8)

Guidance literature:

entspr. Naphthalder., Epichlorhydrin, t-Butylamin;

DOI:10.1021/jm00207a014

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