(S)-1-(Diphenylphosphino)-3,3-dimethylbutan-2-amine

Base Information

• Chemical Name: (S)-1-(Diphenylphosphino)-3,3-dimethylbutan-2-amine
• CAS No.: 286454-86-2
• Molecular Formula: C18H24NP
• Molecular Weight: 285.369
• European Community (EC) Number: 695-580-0
• DSSTox Substance ID: DTXSID70444139
• Nikkaji Number: J1.595.577E
• Wikidata: Q76415952
• Mol file: 286454-86-2.mol

Synonyms:286454-86-2;(S)-1-(Diphenylphosphino)-3,3-dimethylbutan-2-amine;(2S)-1-diphenylphosphanyl-3,3-dimethylbutan-2-amine;2-Butanamine, 1-(diphenylphosphino)-3,3-dimethyl-, (2S)-;(S)-1-(DIPHENYLPHOSPHINO)-2-AMINO-3,3-DIMETHYLBUTANE;SCHEMBL17513084;DTXSID70444139;MFCD17013995;SC11579;D94636;A876668;[(2S)-2-Amino-3,3-dimethylbutyl]diphenylphosphine;(S)-1-(DIPHENYLPHOSPHINO)-3,3-DIMETHYL-2-BUTYLAMINE;(S)-1-(Diphenylphosphino)-3,3-dimethylbutan-2-amine, 97%;(S)-1-(DIPHENYLPHOSPHINO)-3,3-DIMETHYLBUTAN-2-AMINE;(S)-2-AMINO-1-DIPHENYLPHOSPHINO-3,3-DIMETHYLBUTANE

Chemical Property of (S)-1-(Diphenylphosphino)-3,3-dimethylbutan-2-amine

Chemical Property:

• Refractive Index: n20/D1.590
• Boiling Point: 384.5±25.0 °C(Predicted)
• PKA: 9.79±0.17(Predicted)
• Flash Point: >110℃
• PSA: 39.61000
• Density: 1.0241 g/mL at 25 °C
• LogP: 4.19300
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• Sensitive.: air sensitive
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 285.164636767
• Heavy Atom Count: 20
• Complexity: 254

Purity/Quality:

97% ^*data from raw suppliers

(S)-1-(Diphenylphosphino)-2-amino-3,3-dimethylbutane, min. 97% (10wt% in hexanes) ^*data from reagent suppliers

Safty Information:

• Hazard Codes: C
• Statements: 34
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)C(CP(C1=CC=CC=C1)C2=CC=CC=C2)N
• Isomeric SMILES: CC(C)(C)[C@@H](CP(C1=CC=CC=C1)C2=CC=CC=C2)N

Technology Process of (S)-1-(Diphenylphosphino)-3,3-dimethylbutan-2-amine

There total 15 articles about (S)-1-(Diphenylphosphino)-3,3-dimethylbutan-2-amine 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: 95.0%

(S)-[1-[(diphenylphosphino)methyl]-2,2-dimethylpropyl]carbamic acid 1,1-dimethylethyl ester (286454-85-1) → (S)‐1‐(diphenylphosphino)‐3,3‐dimethylbutan‐2‐amine (286454-86-2,1366384-12-4)

Guidance literature:

With trifluoroacetic acid; In dichloromethane; at 0 - 20 ℃; for 5h;

DOI:10.1002/adsc.201500110

Reference yield: 78.0%

(S)-1-diphenylphosphino-2-(4-methylphenylsulfonylamino)-3,3-dimethylbutane (602307-06-2) → (S)‐1‐(diphenylphosphino)‐3,3‐dimethylbutan‐2‐amine (286454-86-2,1366384-12-4)

Guidance literature:

With sulfuric acid; at 100 ℃; for 5h;

DOI:10.1021/ol801259u

Reference yield:

C18H27BNP → (S)‐1‐(diphenylphosphino)‐3,3‐dimethylbutan‐2‐amine (286454-86-2,1366384-12-4)

Guidance literature:

With diethylamine; at 55 ℃; for 6h; Inert atmosphere;

DOI:10.1016/j.tet.2015.12.002

upstream raw materials:

(S)-[1-[(diphenylphosphino)methyl]-2,2-dimethylpropyl]carbamic acid 1,1-dimethylethyl ester

(S)-tert-leucinol

N-Boc-L-tert-leucinol

(S)-[-2,2-dimethyl-1-[[[(4-methylphenyl)sulfonyl]oxy]methyl]propyl]carbamic acid 1,1-dimethylethyl ester