Cas no 872595-06-7 (1,2-Ethanediamine, 1,2-bis(4-methylphenyl)-, (1R,2R)-)

1,2-Ethanediamine, 1,2-bis(4-methylphenyl)-, (1R,2R)- structure
872595-06-7 structure
Product Name:1,2-Ethanediamine, 1,2-bis(4-methylphenyl)-, (1R,2R)-
CAS No:872595-06-7
MF:C16H20N2
MW:240.343403816223
CID:1868514
PubChem ID:11311014
Update Time:2024-10-26

1,2-Ethanediamine, 1,2-bis(4-methylphenyl)-, (1R,2R)- Chemical and Physical Properties

Names and Identifiers

    • 1,2-Ethanediamine, 1,2-bis(4-methylphenyl)-, (1R,2R)-
    • 1,?2-?Ethanediamine, 1,?2-?bis(4-?methylphenyl)?-?, (1R,?2R)?-
    • (1R,2R)-1,2-di-p-tolylethane-1,2-diamine
    • (1R,2R)-1,2-Bis(4-methylphenyl)-1,2-ethanediamine (ACI)
    • 872595-06-7
    • CS-0134852
    • SCHEMBL24017147
    • Inchi： 1S/C16H20N2/c1-11-3-7-13(8-4-11)15(17)16(18)14-9-5-12(2)6-10-14/h3-10,15-16H,17-18H2,1-2H3/t15-,16-/m1/s1
    • InChI Key： UQUZLWQGLCLOBD-HZPDHXFCSA-N
    • SMILES： [C@H](C1C=CC(C)=CC=1)(N)[C@@H](C1C=CC(C)=CC=1)N

Computed Properties

  • Exact Mass: 240.162648646g/mol
  • Monoisotopic Mass: 240.162648646g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 3
  • Complexity: 212
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 2
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.1
  • Topological Polar Surface Area: 52?2

Experimental Properties

  • Density: 1.071±0.06 g/cm3(Predicted)
  • Boiling Point: 388.6±37.0 °C(Predicted)
  • pka: 10.05±0.10(Predicted)

1,2-Ethanediamine, 1,2-bis(4-methylphenyl)-, (1R,2R)- Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
SU ZHOU XIN JIA YUAN HUA XUE Technology Co., Ltd.
ZJSA-0057-5g
1,2-Ethanediamine, 1,2-bis(4-methylphenyl)-, (1R,2R)-
 872595-06-7 97%;99%ee
5g
 ￥9000.0 2024-07-19
SU ZHOU XIN JIA YUAN HUA XUE Technology Co., Ltd.
ZJSA-0057-1g
1,2-Ethanediamine, 1,2-bis(4-methylphenyl)-, (1R,2R)-
 872595-06-7 97%;99%ee
1g
 ￥2000.0 2024-07-19

1,2-Ethanediamine, 1,2-bis(4-methylphenyl)-, (1R,2R)- Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Potassium hydroxide Solvents: Water ;  pH 10
Reference
Synthesis and in vitro antitumor activity of novel iridium(III) complexes with enantiopure C2-symmetrical vicinal diamine ligands
Yang, Qing; et al, Bioorganic & Medicinal Chemistry Letters, 2013, 23(16), 4602-4607

Production Method 2

Reaction Conditions
1.1 Reagents: Boron trifluoride etherate Solvents: Tetrahydrofuran ;  3 - 5 h, -78 °C; 5 h, -78 °C → rt; 2 h, rt
1.2 Reagents: Sodium sulfate Solvents: Water ;  0 °C
2.1 Reagents: Hydrochloric acid Solvents: Diethyl ether
2.2 Reagents: Sodium hydroxide Solvents: Water
Reference
Highly diastereoselective and enantioselective addition of organometallic reagents to a chiral C2-symmetrical bisimine
Sun, Xiaoxia; et al, Synlett, 2005, (18), 2776-2780

Production Method 3

Reaction Conditions
1.1 Reagents: Hexamethylphosphoramide ,  Samarium iodide (SmI2) Solvents: Tetrahydrofuran ;  30 min, -78 °C
1.2 Solvents: Tetrahydrofuran ;  4 h, -78 °C
2.1 Reagents: Hydrochloric acid Solvents: Methanol ;  3 h, rt
3.1 Reagents: Potassium hydroxide Solvents: Water ;  pH 10
Reference
Synthesis and in vitro antitumor activity of novel iridium(III) complexes with enantiopure C2-symmetrical vicinal diamine ligands
Yang, Qing; et al, Bioorganic & Medicinal Chemistry Letters, 2013, 23(16), 4602-4607

Production Method 4

Reaction Conditions
1.1 Reagents: Ammonium hexafluorophosphate Solvents: Dichloromethane ,  Water ;  2 d, rt
2.1 Reagents: Boron trifluoride etherate Solvents: Tetrahydrofuran ;  3 - 5 h, -78 °C; 5 h, -78 °C → rt; 2 h, rt
2.2 Reagents: Sodium sulfate Solvents: Water ;  0 °C
3.1 Reagents: Hydrochloric acid Solvents: Diethyl ether
3.2 Reagents: Sodium hydroxide Solvents: Water
Reference
Highly diastereoselective and enantioselective addition of organometallic reagents to a chiral C2-symmetrical bisimine
Sun, Xiaoxia; et al, Synlett, 2005, (18), 2776-2780

Production Method 5

Reaction Conditions
1.1 Reagents: Ammonia Solvents: Methanol ,  Tetrahydrofuran ;  1 h, rt
1.2 Reagents: (5R,5′R)-4,4,4′,4′-Tetrakis(2,5-dimethylphenyl)-5,5′-diphenyl-2,2′-bi-1,3,2-diox… ;  24 h, rt
1.3 Reagents: Hydrochloric acid Solvents: Methanol ,  Water ;  pH 2 - 3, rt
Reference
Enantioselective Reductive Coupling of Imines Templated by Chiral Diboron
Zhou, Mingkang; et al, Journal of the American Chemical Society, 2020, 142(23), 10337-10342

Production Method 6

Reaction Conditions
1.1 Reagents: Hydrochloric acid Solvents: Diethyl ether
1.2 Reagents: Sodium hydroxide Solvents: Water
Reference
Highly diastereoselective and enantioselective addition of organometallic reagents to a chiral C2-symmetrical bisimine
Sun, Xiaoxia; et al, Synlett, 2005, (18), 2776-2780

Production Method 7

Reaction Conditions
1.1 Reagents: Hydrochloric acid Solvents: Methanol ;  3 h, rt
2.1 Reagents: Potassium hydroxide Solvents: Water ;  pH 10
Reference
Synthesis and in vitro antitumor activity of novel iridium(III) complexes with enantiopure C2-symmetrical vicinal diamine ligands
Yang, Qing; et al, Bioorganic & Medicinal Chemistry Letters, 2013, 23(16), 4602-4607

Production Method 8

Reaction Conditions
1.1 Reagents: Titanium ethoxide Solvents: Dichloromethane ;  24 h, rt
2.1 Reagents: Hexamethylphosphoramide ,  Samarium iodide (SmI2) Solvents: Tetrahydrofuran ;  30 min, -78 °C
2.2 Solvents: Tetrahydrofuran ;  4 h, -78 °C
3.1 Reagents: Hydrochloric acid Solvents: Methanol ;  3 h, rt
4.1 Reagents: Potassium hydroxide Solvents: Water ;  pH 10
Reference
Synthesis and in vitro antitumor activity of novel iridium(III) complexes with enantiopure C2-symmetrical vicinal diamine ligands
Yang, Qing; et al, Bioorganic & Medicinal Chemistry Letters, 2013, 23(16), 4602-4607

1,2-Ethanediamine, 1,2-bis(4-methylphenyl)-, (1R,2R)- Raw materials

1,2-Ethanediamine, 1,2-bis(4-methylphenyl)-, (1R,2R)- Preparation Products

1,2-Ethanediamine, 1,2-bis(4-methylphenyl)-, (1R,2R)- Related Literature

872595-06-7 (1,2-Ethanediamine, 1,2-bis(4-methylphenyl)-, (1R,2R)-) Related Products

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