(S)-(-)-2-Amino-3-methyl-1,1-diphenyl-1-butanol - CAS 78603-95-9
Catalog: |
BB036207 |
Product Name: |
(S)-(-)-2-Amino-3-methyl-1,1-diphenyl-1-butanol |
CAS: |
78603-95-9 |
Synonyms: |
(2S)-2-amino-3-methyl-1,1-diphenyl-1-butanol; (2S)-2-amino-3-methyl-1,1-diphenylbutan-1-ol |
IUPAC Name: | (2S)-2-amino-3-methyl-1,1-diphenylbutan-1-ol |
Description: | (S)-(-)-2-Amino-3-methyl-1,1-diphenyl-1-butanol (CAS# 78603-95-9) is a useful intermediate for the synthesis of amino alcohols. |
Molecular Weight: | 255.35 |
Molecular Formula: | C17H21NO |
Canonical SMILES: | CC(C)C(C(C1=CC=CC=C1)(C2=CC=CC=C2)O)N |
InChI: | InChI=1S/C17H21NO/c1-13(2)16(18)17(19,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-13,16,19H,18H2,1-2H3/t16-/m0/s1 |
InChI Key: | LNQVZZGGOZBOQS-INIZCTEOSA-N |
Boiling Point: | 424.7 °C at 760 mmHg |
Density: | 1.074 g/cm3 |
MDL: | MFCD01318248 |
LogP: | 3.60610 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2016108001-A1 | Process for the stereoselective preparation of a pyrazole-carboxamide | 20130626 |
US-9637457-B2 | Process for the stereoselective preparation of a pyrazole-carboxamide | 20130626 |
WO-2014206855-A1 | Process for the stereoselective preparation of a pyrazole-carboxamide | 20130626 |
JP-2014108942-A | Bisoxazolidine ligand and catalyst using the same | 20121130 |
JP-5971804-B2 | Bisoxazolidine ligand and catalyst using the same | 20121130 |
PMID | Publication Date | Title | Journal |
18447392 | 20080606 | Highly enantioselective borane reduction of heteroaryl and heterocyclic ketoxime ethers catalyzed by novel spiroborate ester derived from diphenylvalinol: application to the synthesis of nicotine analogues | The Journal of organic chemistry |
17397177 | 20070426 | Asymmetric synthesis of primary amines via the spiroborate-catalyzed borane reduction of oxime ethers | Organic letters |
Complexity: | 246 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 255.162314293 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 255.162314293 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 46.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3 |
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