Butanoic acid, 4,4'-dithiobis[2-amino-, (2R,2'R)- supplier

Name
D-HOMOCYSTINE
EINECS
CAS No. 6027-15-2
Article Data15
CAS DataBase
Density 1.444 g/cm³
Solubility
Melting Point
Formula C₈H₁₆N₂O₄S₂
Boiling Point 507.58 °C at 760 mmHg
Molecular Weight 268.358
Flash Point 260.775 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Butanoicacid, 4,4'-dithiobis[2-amino-, [R-(R*,R*)]-;Butyric acid,4,4'-dithiobis[2-amino-, D- (8CI);NSC 206271;
PSA 177.24000
LogP 1.37240

Synthetic route

: 454-28-4, 454-29-5, 6027-13-0, 6027-14-1
D-homocysteine

: 6027-15-2
D-homocystine

Conditions

Conditions	Yield
With dihydrogen peroxide for 8h;	95.5%
With dopamine In aq. buffer pH=5; Kinetics; Reagent/catalyst; Electrochemical reaction;

: 147331-82-6
(R)-1,3-thiazane-4-carboxylic acid

: 6027-15-2
D-homocystine

Conditions

Conditions	Yield
With dihydrogen peroxide	49%

: 13073-47-7
S-benzyl-D-homocysteine

: 6027-15-2
D-homocystine

Conditions

Conditions	Yield
With ammonia; sodium Einwirkung von Luft auf das gebildete Natriumsalz des D-Homocysteins in wss.Loesung unter Zusatz von FeCl3;

: 672-15-1
L-homoserine

: 6027-15-2
D-homocystine

Conditions

Conditions	Yield
With sodium hydrogensulfide In ethanol

: 348-67-4
D-methionine

: 6027-15-2
D-homocystine

Conditions

Conditions	Yield
Stage #1: D-methionine With ammonia; lithium at -78℃; for 1.33333h; Birch Reduction; Stage #2: With hydrogenchloride In water pH=4-5; Cooling; Stage #3: With dihydrogen peroxide In water at 0 - 20℃; for 18h;

: 6027-15-2
D-homocystine

: 24424-99-5
di-tert-butyl dicarbonate

: 113132-85-7
N,N'-di(tert-butoxycarbonyl)homocystine

Conditions

Conditions	Yield
With sodium carbonate In 1,4-dioxane; water at 20℃;	100%

: 6027-15-2
D-homocystine

: D-Homocysteic acid

Conditions

Conditions	Yield
With bromine In water

: 6027-15-2
D-homocystine

: 57816-79-2
carbocyclic 5'-chloro-5'-deoxyadenosine

: 94842-39-4
D-C-AdoHcy

Conditions

Conditions	Yield
With ammonia; sodium 1.) -78 deg C; Yield given. Multistep reaction;

: 6027-15-2
D-homocystine

: 454-28-4, 454-29-5, 6027-13-0, 6027-14-1
D-homocysteine

Conditions

Conditions	Yield
With diothiothreitol at 30℃; for 5h;

: 6027-15-2
D-homocystine

: 75-26-3
isopropyl bromide

: 37841-10-4
(R)-2-Amino-4-isopropylsulfanyl-butyric acid

Conditions

Conditions	Yield
With ammonia; sodium
Stage #1: D-homocystine With ammonia; sodium Stage #2: isopropyl bromide

: 6027-15-2
D-homocystine

: 88945-99-7
D-Homocysteine monosodium salt

Conditions

Conditions	Yield
With ammonia; sodium

: 6027-15-2
D-homocystine

: 180915-09-7
di(tert-butyl) N,N'-bis(tert-butoxycarbonyl)homocystinate

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: sodium carbonate / 1,4-dioxane; water / 20 °C 2: dichloromethane / 20 °C View Scheme

: 6027-15-2
D-homocystine

: C4H7NO2S(2-)

Conditions

Conditions	Yield
With ammonia; sodium for 0.333333h;

: 67-56-1
methanol

: 6027-15-2
D-homocystine

: 24424-99-5
di-tert-butyl dicarbonate

: dimethyl 4,4'-disulfanediyl(2R,2'R)-bis(2-((tert-butoxycarbonyl)amino)butanoate)

Conditions

Conditions	Yield
Stage #1: methanol; D-homocystine With thionyl chloride at 0 - 75℃; for 27h; Stage #2: di-tert-butyl dicarbonate With sodium carbonate In dichloromethane; water at 20℃; for 18h;

...Expand

Butanoic acid, 4,4'-dithiobis[2-amino-, (2R,2'R)- Specification

This chemical is called Butanoic acid, 4,4'-dithiobis[2-amino-, (2R,2'R)-, and its CAS registry number is 6027-15-2. With the molecular formula of C₈H₁₆N₂O₄S₂, its molecular weight is 268.35. Additionally, this chemical should be stored at 0-5°C.

Other characteristics of the Butanoic acid, 4,4'-dithiobis[2-amino-, (2R,2'R)- can be summarised as followings: (1)ACD/LogP: 0.85; (2)# of Rule of 5 Violations: 1; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 6; (8)#H bond donors: 6; (9)#Freely Rotating Bonds: 11; (10)Polar Surface Area: 177.24 Å²; (11)Index of Refraction: 1.619; (12)Molar Refractivity: 65.223 cm³; (13)Molar Volume: 185.887 cm³; (14)Polarizability: 25.856×10^-24cm³; (15)Surface Tension: 75.625 dyne/cm; (16)Density: 1.444 g/cm³; (17)Flash Point: 260.775 °C; (18)Enthalpy of Vaporization: 85.126 kJ/mol; (19)Boiling Point: 507.58 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: C(CSSCCC(C(=O)O)N)C(C(=O)O)N
2.InChI: InChI=1/C8H16N2O4S2/c9-5(7(11)12)1-3-15-16-4-2-6(10)8(13)14/h5-6H,1-4,9-10H2,(H,11,12)(H,13,14)
3.InChIKey: ZTVZLYBCZNMWCF-UHFFFAOYAO

Product Name

D-HOMOCYSTINE

Synthetic route

Butanoic acid, 4,4'-dithiobis[2-amino-, (2R,2'R)- Specification

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