CID 11441755

Base Information

Chemical Name:CID 11441755
CAS No.:63800-01-1
Molecular Formula:C₁₈H₂₈N₄O₈
Molecular Weight:428.442
Hs Code.:
Mol file:63800-01-1.mol

Synonyms:

Suppliers and Price of CID 11441755

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Medical Isotopes, Inc.
Hydroxylysylpyridinoline
10 mg
$ 2800.00

Total 2 raw suppliers

Chemical Property of CID 11441755

Chemical Property:

Boiling Point:501.9°Cat760mmHg
Flash Point:220.4°C
PSA：237.13000
Density:0.97g/cm³
LogP:0.07070
Storage Temp.:Hygroscopic, -20°C Freezer, Under inert atmosphere
Solubility.:Methanol (Slightly), Water (Slightly)
XLogP3:-8.6
Hydrogen Bond Donor Count:7
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:13
Exact Mass:428.19071386
Heavy Atom Count:30
Complexity:593

Purity/Quality:

>95% ^*data from raw suppliers

Hydroxylysylpyridinoline ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=C(C(=C(C=[N+]1CC(CCC(C(=O)O)N)O)[O-])CC(C(=O)O)N)CCC(C(=O)O)N
Isomeric SMILES:C1=C(C(=C(C=[N+]1C[C@@H](CC[C@@H](C(=O)O)N)O)[O-])C[C@@H](C(=O)O)N)CC[C@@H](C(=O)O)N
Uses Hydroxylysylpyridinoline, is a derivative of Pyridinoline, which is a is a fluorescent cross-linking compound of collagen fibers. It is also found to beto be released into the blood during bone degradation, and thus there are proposed as a marker for metastatic bone tumor in patients with prostate cancer.

Technology Process of CID 11441755

There total 10 articles about CID 11441755 which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

: 127623-77-2
tert-butyl (S)-2-benzyloxycarbonylamino-6-hydroxyhex-5-enoate

: 63800-01-1
pyridinoline

Guidance literature:: Multi-step reaction with 7 steps

1: 98 percent / aq. trifluoroacetic acid / 1 h / 20 °C

2: 39 percent / aq. NaHCO₃; I₂; KI / CH₂Cl₂ / 48 h / 0 °C

3: 82 percent / Cs₂CO₃ / 0.13 h / Heating

4: 65 percent / acetonitrile / 16 h / Heating

5: 60 percent / N-methylaniline; tetrakis(triphenylphosphine)palladium⁽⁰⁾ / tetrahydrofuran / 76 h / 20 °C

6: 95 percent / H₂ / Pd/C / aq. ethanol / 20 °C / atmospheric pressure

7: aq. CF₃CO₂H / 0.67 h / 20 °C

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; hydrogen; iodine; sodium hydrogencarbonate; caesium carbonate; N-methylaniline; trifluoroacetic acid; potassium iodide; palladium on activated charcoal; In tetrahydrofuran; ethanol; dichloromethane; acetonitrile;
DOI:10.1016/S0957-4166(03)00400-2

Reference yield:

: 606148-70-3
tert-butyl (2S)-2-aminohex-5-enoate

: 63800-01-1
pyridinoline

Guidance literature:: Multi-step reaction with 8 steps

1: 85 percent / dioxane; H₂O / 2.5 h / 20 °C

2: 98 percent / aq. trifluoroacetic acid / 1 h / 20 °C

3: 39 percent / aq. NaHCO₃; I₂; KI / CH₂Cl₂ / 48 h / 0 °C

4: 82 percent / Cs₂CO₃ / 0.13 h / Heating

5: 65 percent / acetonitrile / 16 h / Heating

6: 60 percent / N-methylaniline; tetrakis(triphenylphosphine)palladium⁽⁰⁾ / tetrahydrofuran / 76 h / 20 °C

7: 95 percent / H₂ / Pd/C / aq. ethanol / 20 °C / atmospheric pressure

8: aq. CF₃CO₂H / 0.67 h / 20 °C

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; hydrogen; iodine; sodium hydrogencarbonate; caesium carbonate; N-methylaniline; trifluoroacetic acid; potassium iodide; palladium on activated charcoal; In tetrahydrofuran; 1,4-dioxane; ethanol; dichloromethane; water; acetonitrile;
DOI:10.1016/S0957-4166(03)00400-2

Reference yield:

: 182422-50-0
(2S)-2-([(benzyloxy)carbonyl]amino)hex-5-enoic acid

: 63800-01-1
pyridinoline

Guidance literature:: Multi-step reaction with 6 steps

1: 39 percent / aq. NaHCO₃; I₂; KI / CH₂Cl₂ / 48 h / 0 °C

2: 82 percent / Cs₂CO₃ / 0.13 h / Heating

3: 65 percent / acetonitrile / 16 h / Heating

4: 60 percent / N-methylaniline; tetrakis(triphenylphosphine)palladium⁽⁰⁾ / tetrahydrofuran / 76 h / 20 °C

5: 95 percent / H₂ / Pd/C / aq. ethanol / 20 °C / atmospheric pressure

6: aq. CF₃CO₂H / 0.67 h / 20 °C

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; hydrogen; iodine; sodium hydrogencarbonate; caesium carbonate; N-methylaniline; trifluoroacetic acid; potassium iodide; palladium on activated charcoal; In tetrahydrofuran; ethanol; dichloromethane; acetonitrile;
DOI:10.1016/S0957-4166(03)00400-2