ChemicalBook--->CAS DataBase List--->21436-03-3

21436-03-3

21436-03-3 Structure

21436-03-3 Structure
IdentificationMore
[Name]

(1S,2S)-(+)-1,2-Diaminocyclohexane
[CAS]

21436-03-3
[Synonyms]

(1S,2S)-(+)-1,2-CYCLOHEXANEDIAMINE
(1S,2S)-(+)-1,2-DIAMINOCYCLOHEXANE
(1S,2S)-1,2-DIAMINOCYCLOHEXANE
(1S,2S)-CYCLOHEXANE-1,2-DIAMINE
(1S)-TRANS-1,2-CYCLOHEXANEDIAMINE
(1S)-(+)-TRANS-1,2-DIAMINOCYCLOHEXANE
(1S)-TRANS-1,2-DIAMINOCYCLOHEXANE
S-DACH
(+)-(S,S)-1,2-DIAMINOCYCLOHEXANE
(S,S)-(+)-1,2-DIAMINOCYCLOHEXANE
(S,S)-1,2-DIAMINOCYCLOHEXANE
SS-DAC
(+)-(S,S)-DACH
(S,S)-DACH
SS-DIAMINOCYCLOHEXANE
(1S,2S)-Cyclohexane-1,2-Diamin
(1S,2S)-(+)-1,2-Diaminocyclohexane,99%(S,S)-DACH
(1S,2S)-(+)-1,2-DIAMINOCYCLOHEXANE (S,S)-DACH
(1S,2S)-(+)-1,2-DIAMINOCYCLOHEXANE 98%
(1S)-trans-1,2-Cyclohexanediamine, (1S)-trans-1,2-Diaminocyclohexane
[Molecular Formula]

C6H14N2
[MDL Number]

MFCD00062986
[Molecular Weight]

114.19
[MOL File]

21436-03-3.mol
Chemical PropertiesBack Directory
[Appearance]

white to light yellow crystal powder
[Melting point ]

40-43 °C (lit.)
[alpha ]

25.25 º (589nm, c=5, 1 M HCl)
[Boiling point ]

104-110 °C/40 mmHg (lit.)
[density ]

0.951
[refractive index ]

1.4886
[Fp ]

169 °F
[storage temp. ]

2-8°C
[form ]

Crystals or Powder
[pka]

10.76±0.70(Predicted)
[color ]

White to light beige
[Optical Rotation]

[α]20/D +25°, c = 5 in 1 M HCl
[Water Solubility ]

soluble
[Sensitive ]

Air Sensitive
[Detection Methods]

HPLC
[BRN ]

2801645
[InChI]

1S/C6H14N2/c7-5-3-1-2-4-6(5)8/h5-6H,1-4,7-8H2/t5-,6-/m0/s1
[InChIKey]

SSJXIUAHEKJCMH-WDSKDSINSA-N
[SMILES]

N[C@H]1CCCC[C@@H]1N
[CAS DataBase Reference]

21436-03-3(CAS DataBase Reference)
[NIST Chemistry Reference]

(1S,2S)-(+)-1,2-Diaminocyclohexane(21436-03-3)
[Storage Precautions]

Store under nitrogen
Safety DataBack Directory
[Symbol(GHS) ]

Corrosion (GHS05)
GHS05
[Signal word ]

Danger
[Hazard statements ]

H314
[Precautionary statements ]

P260-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363
[Hazard Codes ]

C
[Risk Statements ]

R34:Causes burns.
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
[RIDADR ]

UN 3259 8/PG 3
[WGK Germany ]

3
[F ]

10-34
[HazardClass ]

8
[PackingGroup ]

III
[HS Code ]

29213000
[Storage Class]

8A - Combustible corrosive hazardous materials
[Hazard Classifications]

Eye Dam. 1
Skin Corr. 1B
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Acetic acid-->L(+)-Tartaric acid-->3-Methylbenzoyl chloride-->(+/-)-trans-1,2-Diaminocyclohexane
[Preparation Products]

dibuty cebacate with ferric chloride-->(S,S)-(+)-N,N'-Bis(3,5-di-tert-butylsalicylidene)-1,2-cyclohexanediamine-->(1S,2S)-Boc-1,2-diaminocyclohexane-->N-[(1S,2S)-2-aMinocyclohexyl]-MethanesulfonaMide
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

(S,S)-DACH(21436-03-3).msds
Hazard InformationBack Directory
[Chemical Properties]

white to light yellow crystal powder
[Uses]

suzuki reaction
[Purification Methods]

Distil or recrystallise the diamine from pet ether under N2 or Ar. Store it as above. The 1S,2S-base D-tartrate salt has M 264.3, m 180 -1 8 4o(dec) and [] 25 -12.5o (c 4, H2O) from which the free base can be purified or optically enriched. It is a useful chiral synthon. [Fjii et al. J Chem Soc, Chem Commun 45 1985, Takahashi et al. Tetrahedron Lett 30 7095 1989, Hanassian et al. J Org Chem 58 1991 1993, Beilstein 13 III 7.]
Spectrum DetailBack Directory
[Spectrum Detail]

(1S,2S)-(+)-1,2-Diaminocyclohexane(21436-03-3)1HNMR
(1S,2S)-(+)-1,2-Diaminocyclohexane(21436-03-3)IR
(1S,2S)-(+)-1,2-Diaminocyclohexane(21436-03-3)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

(1S,2S)-(+)-1,2-Diaminocyclohexane, 98%(21436-03-3)
[Alfa Aesar]

(1S,2S)-(+)-1,2-Diaminocyclohexane, 98%(21436-03-3)
[Sigma Aldrich]

21436-03-3(sigmaaldrich)
[TCI AMERICA]

(1S,2S)-(+)-1,2-Cyclohexanediamine,>98.0%(GC)(T)(21436-03-3)
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