Cas no 29841-69-8 ((1S,2S)-1,2-diphenylethane-1,2-diamine)
(1S,2S)-1,2-diphenylethane-1,2-diamine Chemical and Physical Properties
Names and Identifiers
-
- (1S,2S)-(-)-1,2-Diphenylethylenediamine
- (1S,2S)-(-)1,2-Diphenylethylenediamine
- 1,2-ETHANEDIAMINE, 1,2-DIPHENYL-, (1S,2S)-
- (1S,2S)-(+)-1,2-DIPHENYL 1,2-ETHANEDIAMINE
- (1S,2S)-(-)-1,2-DIAMINO-1,2-DIPHENYLETHANE
- (1S,2S)-(+)-1,2-DIAMINO-1,2-DIPHENYLETHANE
- (1S,2S)-(-)-1,2-DIPHENYL-1,2-ETHYLENEDIAMINE
- (1S,2S)-1,2-DIPHENYL-ETHANE-1,2-DIAMINE
- (1S,2S)-(-)-1,2-Diphenylenediamine
- (1S,2S)-(-)-1,2-Diphenyl-1,2-ethanediamine
- (-)-1,2-DIPHENYLETHYLENEDIAMINE
- (1S,2S)-1,2-Diphenyl-1,2-ethanediamine
- (1S,2S)-1,2-Diphenylethane-1,2-diamine
- (1S,2S)-(-)-1,2-diphenyldiaminoethane
- (1S,2S)-(?)-1,2-Diphenylethylenediamine
- (1S,2S)-1,2-diamino-1,2-diphenylethane
- (1S,2S)-DPEN
- (S,S)-1,2-diphenyl-1,2-diaminoethane
- (S,S)-1,2-diphenyl-1,2-ethanodiamine
- (S,S)-1,2-diphenylethylenediamine
- (S,S)-DPEN
- (1S,2S)-(?)-1,2-Diphenylethylenediamine
- A820073
- (s,s)-diphenylethylenediamine
- SCHEMBL150159
- BP-10697
- D2175
- CS-W009024
- Z1509382162
- 16635-95-3
- (1s,2s)-1,2-diphenylethylenediamine
- (1S,2S)-(-)-1,2-Diphenylethylenediamine, 97%
- (1S,2S)-(-)-1,2-DIPHENYLETHANE-1,2-DIAMINE
- AKOS007930132
- PONXTPCRRASWKW-KBPBESRZSA-N
- CHEMBL467308
- AM20060600
- Q-200010
- A822590
- MFCD00082751
- (s,s)-1, 2-diphenylethylenediamine
- EN300-252545
- (1S,2S)-1,2-diphenylethane-1,2-diamine;(1S,2S)-(-)-1,2-Diphenylethylenediamine
- A5530
- AC-3422
- AKOS015888309
- PS-5426
- Q5279741
- (1S,2S)-(-)-1,2-diphenyethylenediamine
- NS00124436
- DTXSID20426127
- 29841-69-8
- (S,S)-DPEN,(1S,2S)-(+)-1,2-Diphenyl-1,2-ethanediamine,98%
- ((1S,2S)-2-Amino-1,2-diphenylethyl)amine; (-)-Stilbenediamine; (S,S)-1,2-Diamino-1,2-diphenylethane; (S,S)-1,2-Diphenylethylene-1,2-diamine;
- (1S,2S)-1,2-diphenylethane-1,2-diamine
-
- MDL: MFCD00082751
- Inchi: 1S/C14H16N2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10,13-14H,15-16H2/t13-,14-/m0/s1
- InChI Key: PONXTPCRRASWKW-KBPBESRZSA-N
- SMILES: N[C@@H](C1C=CC=CC=1)[C@H](C1C=CC=CC=1)N
- BRN: 3201645
Computed Properties
- Exact Mass: 212.13100
- Monoisotopic Mass: 212.131
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 3
- Complexity: 171
- 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
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 1.4
- Topological Polar Surface Area: 52A^2
Experimental Properties
- Color/Form: White to Yellow Solid
- Density: 1.0799 (rough estimate)
- Melting Point: 83-85?°C (lit.)
- Boiling Point: 342.14°C (rough estimate)
- Flash Point: 199.9℃
- Refractive Index: -103 ° (C=1, EtOH)
- Solubility: Insoluble in water.
- Water Partition Coefficient: Insoluble in water.
- PSA: 52.04000
- LogP: 3.78700
- Sensitiveness: Air Sensitive
- Specific Rotation: -104 o (c=1.1, MeOH 25 oC)
- Optical Activity: [α]20/D ?102°, c =?1 in ethanol
- Solubility: Insoluble in water, soluble in methanol and ethanol
(1S,2S)-1,2-diphenylethane-1,2-diamine Security Information
-
Symbol:
- Prompt:warning
- Signal Word:Warning
- Hazard Statement: H315,H319,H335
- Warning Statement: P261,P305+P351+P338
- Hazardous Material transportation number:NONH for all modes of transport
- WGK Germany:3
- Hazard Category Code: 36/37/38
- Safety Instruction: S26-S36/37/39-S45
- FLUKA BRAND F CODES:10-23
-
Hazardous Material Identification:
- HazardClass:8
- PackingGroup:III
- Storage Condition:Store at room temperature
- Risk Phrases:R34
- Safety Term:S26;S36/37/39;S45
(1S,2S)-1,2-diphenylethane-1,2-diamine Customs Data
- HS CODE:2942000000
- Customs Data:
China Customs Code:
2921590090Overview:
2921590090. Other aromatic polyamines and derivatives and their salts. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:30.0%
Declaration elements:
Product Name, component content, use to
Summary:
2921590090. other aromatic polyamines and their derivatives; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%
(1S,2S)-1,2-diphenylethane-1,2-diamine Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| SU ZHOU XIN JIA YUAN HUA XUE Technology Co., Ltd. | 600568-5g |
(1S,2S)-1,2-diphenylethane-1,2-diamine |
29841-69-8 | 97% | 5g |
¥200.0 | 2024-07-19 | |
| SU ZHOU XIN JIA YUAN HUA XUE Technology Co., Ltd. | 600568-25g |
(1S,2S)-1,2-diphenylethane-1,2-diamine |
29841-69-8 | 97% | 25g |
¥700.0 | 2024-07-19 | |
| SU ZHOU XIN JIA YUAN HUA XUE Technology Co., Ltd. | 600568-1g |
(1S,2S)-1,2-diphenylethane-1,2-diamine |
29841-69-8 | 97% | 1g |
¥50.0 | 2024-07-19 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | D2175-1g |
(1S,2S)-1,2-diphenylethane-1,2-diamine |
29841-69-8 | 98.0%(GC&T) | 1g |
¥515.0 | 2022-09-28 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | D2175-5g |
(1S,2S)-1,2-diphenylethane-1,2-diamine |
29841-69-8 | 98.0%(GC&T) | 5g |
¥2085.0 | 2022-09-28 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | S022R-1g |
(1S,2S)-1,2-diphenylethane-1,2-diamine |
29841-69-8 | 98% | 1g |
¥33.0 | 2022-09-28 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | S022R-5g |
(1S,2S)-1,2-diphenylethane-1,2-diamine |
29841-69-8 | 98% | 5g |
¥125.0 | 2022-09-28 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | S115656-250mg |
(1S,2S)-1,2-diphenylethane-1,2-diamine |
29841-69-8 | 98% | 250mg |
¥29.90 | 2023-09-01 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | S115656-1g |
(1S,2S)-1,2-diphenylethane-1,2-diamine |
29841-69-8 | 98% | 1g |
¥39.90 | 2023-09-01 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | S115656-25g |
(1S,2S)-1,2-diphenylethane-1,2-diamine |
29841-69-8 | 98% | 25g |
¥449.90 | 2023-09-01 |
(1S,2S)-1,2-diphenylethane-1,2-diamine Suppliers
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Related Categories
- Solvents and Organic Chemicals Organic Compounds Phenylpropanoids and polyketides Stilbenes Stilbenes
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Additional information on (1S,2S)-1,2-diphenylethane-1,2-diamine
Chemical Profile of (1S,2S)-1,2-diphenylethane-1,2-diamine (CAS No. 29841-69-8)
(1S,2S)-1,2-diphenylethane-1,2-diamine, identified by its CAS number 29841-69-8, is a chiral diamine compound that has garnered significant attention in the field of pharmaceutical chemistry and materials science due to its unique structural and functional properties. This molecule, featuring a stereogenic center at the (1S,2S) configuration, presents a rich scaffold for further derivatization and application in various chemical syntheses.
The compound belongs to the class of diphenylethanamines, which are characterized by the presence of two phenyl groups attached to a central ethane backbone with amine substituents. The specific (1S,2S) configuration of this diamine imparts distinct stereochemical properties that can influence its reactivity and interaction with biological targets. Such stereochemical control is crucial in medicinal chemistry, where enantiomeric purity often dictates the efficacy and safety of a drug candidate.
In recent years, (1S,2S)-1,2-diphenylethane-1,2-diamine has been explored as a key intermediate in the synthesis of complex organic molecules. Its versatile structure allows for modifications at both the phenyl rings and the amine functionalities, enabling the creation of libraries of derivatives with tailored properties. These derivatives have potential applications in drug discovery, particularly as modulators of enzyme activity and as building blocks for larger pharmacophores.
One of the most compelling aspects of this compound is its utility in asymmetric synthesis. The presence of a single stereocenter at the (1S,2S) configuration makes it an attractive substrate for catalytic asymmetric methods. Recent advances in transition-metal catalysis have enabled the efficient synthesis of enantiomerically pure (1S,2S)-1,2-diphenylethane-1,2-diamine, opening up new avenues for constructing enantiomerically enriched compounds. Such methods are particularly valuable in pharmaceutical research, where the biological activity of a drug is often highly dependent on its stereochemistry.
The pharmaceutical relevance of (1S,2S)-1,2-diphenylethane-1,2-diamine extends to its potential role as a precursor for bioactive molecules. For instance, derivatives of this diamine have been investigated for their interactions with metalloenzymes and other biological targets. The phenyl rings can serve as hydrophobic anchors interacting with specific pockets on proteins or enzymes, while the amine groups can participate in hydrogen bonding or coordinate with metal ions. This dual functionality makes it a promising scaffold for designing small-molecule inhibitors or activators.
Recent studies have also highlighted the material science applications of (1S,2S)-1,2-diphenylethane-1,2-diamine and its derivatives. The compound's ability to form stable coordination complexes with transition metals has been exploited in the development of novel catalysts and functional materials. For example, complexes formed between this diamine and palladium or ruthenium have shown promise as catalysts for cross-coupling reactions, which are fundamental transformations in organic synthesis.
The synthesis of (1S,2S)-1,2-diphenylethane-1,2-diamine typically involves chiral auxiliary-assisted methods or asymmetric catalysis to achieve the desired stereochemical outcome. Chiral resolution techniques such as diastereomeric salt formation followed by crystallization can also be employed to isolate the desired enantiomer. The growing interest in green chemistry has prompted researchers to explore sustainable synthetic routes for this compound, including biocatalytic methods that minimize waste and energy consumption.
In conclusion,(1S,2S)-1,2-diphenylethane-1,2-diamine (CAS No. 29841-69-8) represents a structurally fascinating and functionally versatile molecule with broad applications across pharmaceutical chemistry and materials science. Its unique stereochemistry,(1S,) (##) (##)configuration, makes it an invaluable building block for constructing complex organic molecules, including drug candidates, while its coordination chemistry opens up exciting possibilities in catalysis and material design. As research continues to uncover new synthetic strategies and applications, this compound is poised to remain at the forefront of chemical innovation.
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