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45172-15-4

Basic Information
CAS No.: 45172-15-4
Name: L-Lysine Diisocyanate
Molecular Structure:
Molecular Structure of 45172-15-4 (L-Lysine Diisocyanate)
Formula: C10H14N2O4
Molecular Weight: 226.232
Synonyms: Hexanoicacid, 2,6-diisocyanato-, ethyl ester, (S)-;Ethyl(S)-2,6-diisocyanatohexanoate;L-2,6-Diisocyanatohexanoic acid ethyl ester;Hexanoic acid,2,6-diisocyanato-, ethyl ester, (2S)-;
EINECS: 630-601-9
Density: 1.128g/cm3
Boiling Point: 304.989oC at 760 mmHg
Flash Point: 125.688oC
Solubility: Sparingly soluble in water (0.19 g/L).
PSA: 85.16000
LogP: 0.76000
Synthetic route
75-44-5

phosgene

62192-49-8

Nα, Nε-Bistrimethylsilyl-L-lysin-ethylester

45172-15-4

L-lysine ethyl ester diisocyanate

Conditions
ConditionsYield
With triethylamine
polyethylene glycol, PEG400

polyethylene glycol, PEG400

50-99-7

D-glucose

50-02-2

dexamethasone

45172-15-4

L-lysine ethyl ester diisocyanate

50-81-7

ascorbic acid

poly(lysine diisocyanate ethyl ester-co-glucose-co-polyethylene glycol-co-ascorbic acid-co-dexamethasone)

poly(lysine diisocyanate ethyl ester-co-glucose-co-polyethylene glycol-co-ascorbic acid-co-dexamethasone)

Conditions
ConditionsYield
Stage #1: polyethylene glycol, PEG400; D-glucose; dexamethasone; L-lysine ethyl ester diisocyanate; ascorbic acid In dimethyl sulfoxide at 20℃; for 192h; In the dark;
Stage #2: With water In dimethyl sulfoxide for 0.5h;
polyethylene glycol, PEG400

polyethylene glycol, PEG400

17181-54-3

glycerol 2-phosphate, free acid

50-99-7

D-glucose

50-02-2

dexamethasone

45172-15-4

L-lysine ethyl ester diisocyanate

50-81-7

ascorbic acid

poly(lysine diisocyanate ethyl ester-co-glucose-co-polyethylene glycol-co-ascorbic acid-co-dexamethasone-co-β-glycerophosphate)

poly(lysine diisocyanate ethyl ester-co-glucose-co-polyethylene glycol-co-ascorbic acid-co-dexamethasone-co-β-glycerophosphate)

Conditions
ConditionsYield
Stage #1: polyethylene glycol, PEG400; glycerol 2-phosphate, free acid; D-glucose; dexamethasone; L-lysine ethyl ester diisocyanate; ascorbic acid In dimethyl sulfoxide at 20℃; for 192h; In the dark;
Stage #2: With water In dimethyl sulfoxide for 0.5h;
polyethylene glycol, PEG400

polyethylene glycol, PEG400

50-99-7

D-glucose

50-02-2

dexamethasone

45172-15-4

L-lysine ethyl ester diisocyanate

poly(lysine diisocyanate ethyl ester-co-glucose-co-polyethylene glycol-co-dexamethasone)

poly(lysine diisocyanate ethyl ester-co-glucose-co-polyethylene glycol-co-dexamethasone)

Conditions
ConditionsYield
Stage #1: polyethylene glycol, PEG400; D-glucose; dexamethasone; L-lysine ethyl ester diisocyanate In dimethyl sulfoxide at 20℃; for 192h; In the dark;
Stage #2: With water In dimethyl sulfoxide for 0.5h;
polyethylene glycol, PEG400

polyethylene glycol, PEG400

50-99-7

D-glucose

45172-15-4

L-lysine ethyl ester diisocyanate

50-81-7

ascorbic acid

poly(lysine diisocyanate ethyl ester-co-glucose-co-polyethylene glycol-co-ascorbic acid)

poly(lysine diisocyanate ethyl ester-co-glucose-co-polyethylene glycol-co-ascorbic acid)

Conditions
ConditionsYield
Stage #1: polyethylene glycol, PEG400; D-glucose; L-lysine ethyl ester diisocyanate; ascorbic acid In dimethyl sulfoxide at 20℃; for 192h; In the dark;
Stage #2: With water In dimethyl sulfoxide for 0.5h;
polyethylene glycol, PEG400

polyethylene glycol, PEG400

17181-54-3

glycerol 2-phosphate, free acid

50-99-7

D-glucose

45172-15-4

L-lysine ethyl ester diisocyanate

50-81-7

ascorbic acid

poly(lysine diisocyanate ethyl ester-co-glucose-co-polyethylene glycol-co-ascorbic acid-co-β-glycerophosphate)

poly(lysine diisocyanate ethyl ester-co-glucose-co-polyethylene glycol-co-ascorbic acid-co-β-glycerophosphate)

Conditions
ConditionsYield
Stage #1: polyethylene glycol, PEG400; glycerol 2-phosphate, free acid; D-glucose; L-lysine ethyl ester diisocyanate; ascorbic acid In dimethyl sulfoxide at 20℃; for 192h; In the dark;
Stage #2: With water In dimethyl sulfoxide for 0.5h;
polyethylene glycol, PEG400

polyethylene glycol, PEG400

50-99-7

D-glucose

45172-15-4

L-lysine ethyl ester diisocyanate

poly(lysine diisocyanate ethyl ester-co-glucose-co-polyethylene glycol)

poly(lysine diisocyanate ethyl ester-co-glucose-co-polyethylene glycol)

Conditions
ConditionsYield
Stage #1: polyethylene glycol, PEG400; D-glucose; L-lysine ethyl ester diisocyanate In dimethyl sulfoxide at 20℃; for 192h; In the dark;
Stage #2: With water In dimethyl sulfoxide for 0.5h;
polyethylene glycol, PEG400

polyethylene glycol, PEG400

17181-54-3

glycerol 2-phosphate, free acid

50-99-7

D-glucose

45172-15-4

L-lysine ethyl ester diisocyanate

poly(lysine diisocyanate ethyl ester-co-glucose-co-polyethylene glycol-co-β-glycerophosphate)

poly(lysine diisocyanate ethyl ester-co-glucose-co-polyethylene glycol-co-β-glycerophosphate)

Conditions
ConditionsYield
Stage #1: polyethylene glycol, PEG400; glycerol 2-phosphate, free acid; D-glucose; L-lysine ethyl ester diisocyanate In dimethyl sulfoxide at 20℃; for 192h; In the dark;
Stage #2: With water In dimethyl sulfoxide for 0.5h;
polyethylene glycol, PEG200

polyethylene glycol, PEG200

45172-15-4

L-lysine ethyl ester diisocyanate

56-81-5

glycerol

50-81-7

ascorbic acid

poly(lysine diisocyanate ethyl ester-co-glycerol-co-polyethylene glycol-co-ascorbic acid)

poly(lysine diisocyanate ethyl ester-co-glycerol-co-polyethylene glycol-co-ascorbic acid)

Conditions
ConditionsYield
Stage #1: polyethylene glycol, PEG200; L-lysine ethyl ester diisocyanate; glycerol; ascorbic acid at 20℃; for 120h; In the dark;
Stage #2: With water for 0.5h;
LacZ plasmid DNA

LacZ plasmid DNA

polyethylene glycol, PEG400

polyethylene glycol, PEG400

O,O'-bis(2-aminopropyl)-polypropylene glycol 300

O,O'-bis(2-aminopropyl)-polypropylene glycol 300

45172-15-4

L-lysine ethyl ester diisocyanate

poly(lysine diisocyanate ethyl ester-co-glycerol-co-O,O'-bis(2-aminopropyl)-polypropylene glycol 300-co-Runx2 plasmid DNA)

poly(lysine diisocyanate ethyl ester-co-glycerol-co-O,O'-bis(2-aminopropyl)-polypropylene glycol 300-co-Runx2 plasmid DNA)

Conditions
ConditionsYield
for 0.166667h;
Raw Materials
75-44-5
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    CAS NO. 45172-15-4 Product Name L-Lysine Diisocyanate Synonyms Hexanoicacid, 2,6-diisocyanato-, ethyl ester, (S)-; Ethyl(S)

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Specification

1. Introduction of L-Lysine Diisocyanate
L-Lysine Diisocyanate, with the CAS registry number 45172-15-4, has the systematic of ethyl N2,N6-bis(oxomethylidene)lysinate. L-Lysine Diisocyanate is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C10H14N2O4.

2. Properties of L-Lysine Diisocyanate
The characteristics of L-Lysine Diisocyanate are as followings: (1)ACD/LogP: 3.19; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 102; (6)ACD/BCF (pH 7.4): 102; (7)ACD/KOC (pH 5.5): 954; (8)ACD/KOC (pH 7.4): 954; (9)#H bond acceptors: 6; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 85.16 Å2; (13)Index of Refraction: 1.495; (14)Molar Refractivity: 58.499 cm3; (15)Molar Volume: 200.529 cm3; (16)Polarizability: 23.191×10-24cm3; (17)Surface Tension: 41.387 dyne/cm; (18)Density: 1.128 g/cm3; (19)Flash Point: 125.688 °C; (20)Enthalpy of Vaporization: 54.54 kJ/mol; (21)Boiling Point: 304.989 °C at 760 mmHg; (22)Vapour Pressure: 0.001 mmHg at 25°C.

3. Structure Descriptors of L-Lysine Diisocyanate
(1)SMILES: O=C(OCC)C(/N=C=O)CCCC/N=C=O
(2)InChI: InChI=1/C10H14N2O4/c1-2-16-10(15)9(12-8-14)5-3-4-6-11-7-13/h9H,2-6H2,1H3
(3)InChIKey: IGWTZHMYJZZIGC-UHFFFAOYAF